Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6505075

C[N+]1(CC2CCCN2c2ccc(N)cc2)CC[N+](C)(CC2CCCN2c2ccc(N)cc2)CC1.[Cl-].[Cl-]

nearest known ligand 0.37

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
FFAR1 O14842 14/20 0.37
PPARG P37231 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
RAD52 P43351 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 2/20 0.33
RECQL P46063 2/20 0.33
GFER P55789 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2928752 0.99 FFAR1 (0.38) FFAR1PPARGKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6096654 0.96 FFAR1 (0.36) FFAR1PPARGKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6495330 0.85 FFAR1 (0.37) FFAR1PPARGKDM4EMAPTALDH1A1
SCHEMBL2932089 0.84 FFAR1 (0.38) FFAR1PPARGKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6504930 0.83 RAD52 (0.40) FFAR1PPARGKDM4EMAPTGAA
SCHEMBL2928834 0.81 RAD52 (0.41) FFAR1PPARGKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6095736 0.79 RAD52 (0.39) FFAR1PPARGKDM4EMAPTGAA
Hydrochloric Acid SCHEMBL6095710 0.77 FFAR1 (0.39) FFAR1PPARGKDM4EMAPTALDH1A1
SCHEMBL4890984 0.75 FFAR1 (0.43) FFAR1PPARGKDM4EMAPTALDH1A1
SCHEMBL78460 0.75 FFAR1 (0.43) FFAR1PPARGKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US claimed
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-07-01 US claimed
US-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US disclosed
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-07-01 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 (1 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-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres KRT18, VIM, CDC73 FFAR1 4768/4885PPARG 3842/4885KDM4E 532/4885

“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.