Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2540311

Cc1cc(N2CCC(n3cc[n+](C)c3)C2)ccc1N.[Cl-]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.40
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 10/20 0.32
LGMN Q99538 1/20 0.32
KCNH2 Q12809 5/20 0.32
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
DPP4 P27487 1/20 0.30
KHK P50053 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6328982 0.99 RAD52 (0.40) RAD52GAAHRH3LGMNKCNH2
SCHEMBL2127393 0.99 RAD52 (0.41) RAD52GAAHRH3LGMNKCNH2
Hydrochloric Acid SCHEMBL6505113 0.85 GAA (0.38) RAD52GAAHRH3LGMNKCNH2
SCHEMBL2922707 0.84 GAA (0.39) RAD52GAAHRH3LGMNKCNH2
Hydrochloric Acid SCHEMBL2537577 0.84 MAPT (0.36) RAD52GAAHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL6331452 0.84 MAPT (0.36) RAD52GAAHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL2127646 0.83 GAA (0.31) RAD52GAA
Hydrochloric Acid SCHEMBL1154193 0.83 MAPT (0.36) RAD52GAAKDM4EMAPTTHRB
SCHEMBL2126499 0.83 MAPT (0.37) RAD52GAAHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL3069752 0.82 GAA (0.34) RAD52GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US claimed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US claimed
EP-1428515-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; methods and uses OREAL (FR) 2008-07-02 EP claimed
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
US-7101406-B2 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-09-05 US claimed
US-6946005-B2 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-09-20 US claimed
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses L'OREAL (FR) 2004-12-16 US claimed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
US-20040231068-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a cationic polymer, methods and uses L'OREAL (FR) 2004-11-25 US claimed
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof L'OREAL (FR) 2004-11-18 US claimed
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2004-11-11 US claimed
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof L'OREAL (FR) 2004-11-04 US claimed
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof L'OREAL (FR) 2004-10-28 US claimed
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof L'OREAL (FR) 2004-10-21 US claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US claimed
US-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-10-07 US claimed
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres SABELLE STEPHANE (FR) 2003-12-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040231068-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a cationic polymer, methods and uses PHOSPHO1, KRT18, NUP205 RAD52 1196/4885GAA 3349/4885HRH3 276/4885
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses CDC73, KRT18, PAH RAD52 290/4885GAA 4851/4885HRH3 284/4885
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses KRT18, PLIN5, PLIN1 RAD52 1041/4885GAA 4515/4885HRH3 285/4885
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses KRT18, CDC73, NUP205 RAD52 143/4885GAA 4611/4885HRH3 343/4885
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof KRT18, PPHLN1, PKLR RAD52 1613/4885GAA 4341/4885HRH3 465/4885
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses KRT18, CDC73, PPHLN1 RAD52 457/4885GAA 4764/4885HRH3 526/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 RAD52 481/4885GAA 4728/4885HRH3 149/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM RAD52 1604/4885GAA 4088/4885HRH3 2580/4885
US-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 RAD52 651/4885GAA 4822/4885HRH3 824/4885
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof KRT18, NOTUM, PHOSPHO1 RAD52 2680/4885GAA 3878/4885HRH3 750/4885
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses KRT18, CDC73, DDC RAD52 293/4885GAA 4540/4885HRH3 762/4885
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof FARSB, PARN, PKLR RAD52 2081/4885GAA 1898/4885HRH3 711/4885
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 RAD52 651/4885GAA 4822/4885HRH3 824/4885
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof KRT18, PPHLN1, PYCR1 RAD52 1134/4885GAA 4705/4885HRH3 474/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 RAD52 357/4885GAA 4874/4885HRH3 99/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.