Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5566558

CC[N+](CC)(CC)CC(=O)Nc1ccc(C)c(O)c1.[Cl-]

nearest known ligand 0.64

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
ALDH1A1 P00352 6/20 0.64
CYP1A2 P05177 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
GAA P10253 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 3/20 0.54
ALOX15 P16050 3/20 0.54
LMNA P02545 3/20 0.53
BLM P54132 1/20 0.52
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL2930352 0.98 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL6570247 0.76 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL7930525 0.76 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL18530331 0.75 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL2853227 0.73 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL18439033 0.73 LMNA (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19SCN1A
SCHEMBL8537529 0.72 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL2287687 0.72 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9SCN1ASCN2A
SCHEMBL9498689 0.72 POLB (0.67) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL12417395 0.72 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6419711-B1 PHENOLIC COMPOUND COUPLER L'OREAL (FR) 2002-07-16 US claimed
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 US disclosed
US-20060162095-A1 Method of colouring porous material CIBA SPECIALTY CHEMICALS CORP. 2006-07-27 US disclosed
EP-1534226-A1 METHOD OF COLOURING POROUS MATERIAL Ciba SC Holding AG (CH) 2005-06-01 EP disclosed
WO-2004019897-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US disclosed
US-6419711-B1 PHENOLIC COMPOUND COUPLER L'OREAL (FR) 2002-07-16 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-20060162095-A1 Method of colouring porous material ACR, HLA-C, TYR ALDH1A1 2989/4885CYP1A2 2502/4885CYP2C9 766/4885

“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.