Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6218147

COc1ccc(-c2cc3c(C)cccn3c2C(=O)C[n+]2ccn(C)c2)cc1.[Cl-]

nearest known ligand 0.39

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
LMNA P02545 1/20 0.37
HTT P42858 4/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.33
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA1 P14867 3/20 0.32
GABRA2 P47869 3/20 0.32
GABRA5 P31644 2/20 0.32
RAB9A P51151 2/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
NPC1 O15118 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL6221031 0.99 LMNA (0.38) LMNAHTTKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL6212527 0.82 HTT (0.48) LMNAHTTKDM4EALDH1A1GAA
SCHEMBL6214878 0.81 KMT2A (0.54) LMNAHTTKDM4EALDH1A1POLB
SCHEMBL6217835 0.79 AKR1C3 (0.37) LMNAALDH1A1GAARAB9ARXFP1
SCHEMBL6216347 0.76 KDM4E (0.43) LMNAHTTKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL6216599 0.73 ALDH1A1 (0.48) LMNAHTTKDM4EALDH1A1POLB
SCHEMBL6215452 0.72 ALDH1A1 (0.47) LMNAHTTKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL6216306 0.71 THRB (0.40) LMNAHTTKDM4EALDH1A1POLB
Bromide SCHEMBL3853192 0.71 ATM (0.54) LMNAHTTKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL6215709 0.71 KMT2A (0.40) LMNAHTTKDM4EALDH1A1POLB

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 LMNA 116/4885HTT 3161/4885KDM4E 801/4885
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS KRT18, INMT, KMO LMNA 108/4885HTT 3290/4885KDM4E 815/4885

“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.