Hydrochloric Acid

Hydrochloric Acid

SCHEMBL287349

O=C(O)c1ccc[n+](CC(=O)c2cccs2)c1.[Cl-]

nearest known ligand 0.55

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 5/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.46
PABPC1 P11940 1/20 0.46
ATM Q13315 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
DAO P14920 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
GLA P06280 1/20 0.44
HPGDS O60760 1/20 0.44
GSK3B P49841 1/20 0.44
RECQL P46063 1/20 0.42

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
SCHEMBL6227347 0.84 RAB9A (0.59) ALDH1A1KMT2ANPC1RAB9AMEN1
Bromide SCHEMBL1193996 0.83 RAB9A (0.58) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL30206692 0.82 ALDH1A1 (0.58) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL6228170 0.80 RAB9A (0.48) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL14468386 0.80 KMT2A (0.58) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL7576220 0.80 KDM4E (0.45) ALDH1A1KMT2ANPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL287745 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ANPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL22217136 0.80 RAB9A (0.41) ALDH1A1KMT2ANPC1RAB9AMEN1
Bromide SCHEMBL1194756 0.80 KMT2A (0.48) ALDH1A1KMT2ANPC1RAB9AMEN1
Bromide SCHEMBL7113062 0.79 KDM4E (0.44) ALDH1A1KMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885KMT2A 4512/4885NPC1 1176/4885

“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.