Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6213373

Cc1cc2ccccn2c1C(=O)C[n+]1ccn(C)c1.[Cl-]

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.48
HTT P42858 3/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 6/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
NSD2 O96028 1/20 0.41

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
SCHEMBL6214060 0.99 L3MBTL1 (0.49) L3MBTL1HTTATMKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6216306 0.76 THRB (0.40) L3MBTL1HTTKDM4ESMN1; SMN2RAB9A
SCHEMBL6218928 0.74 THRB (0.41) L3MBTL1HTTATMKDM4ESMN1; SMN2
SCHEMBL10531099 0.74 ERCC5 (0.43) L3MBTL1KDM4ESMN1; SMN2RAB9APOLB
Hydrochloric Acid SCHEMBL10526733 0.74 KMT2A (0.62) HTTATMKDM4ESMN1; SMN2RAB9A
Bromide SCHEMBL10529486 0.73 KMT2A (0.45) L3MBTL1ATMKDM4ESMN1; SMN2RAB9A
SCHEMBL16624840 0.72 KMT2A (0.64) HTTATMKDM4ESMN1; SMN2RAB9A
Iodide SCHEMBL10529424 0.71 POLB (0.42) L3MBTL1HTTATMSMN1; SMN2MAPT
SCHEMBL11079665 0.71 KDM4E (0.58) L3MBTL1HTTATMKDM4ESMN1; SMN2
SCHEMBL27922094 0.71 L3MBTL1 (0.72) L3MBTL1HTTATMKDM4ESMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP claimed
US-6579326-B2 For dyeing hair L'OREAL S.A. (FR) 2003-06-17 US claimed
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process BRETON PHILIPPE (FR) 2001-11-29 US claimed
US-6579326-B2 For dyeing hair L'OREAL S.A. (FR) 2003-06-17 US disclosed
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS L'OREAL S.A. (FR) 2003-02-13 US disclosed
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process BRETON PHILIPPE (FR) 2001-11-29 US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process KRT18, INMT, KMO L3MBTL1 4827/4885HTT 3161/4885ATM 2882/4885
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS KRT18, INMT, KMO L3MBTL1 4829/4885HTT 3290/4885ATM 2864/4885

“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.