Hydrochloric Acid

Hydrochloric Acid

SCHEMBL22217136

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

nearest known ligand 0.46

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
RAB9A P51151 2/20 0.41
HDAC3 O15379 1/20 0.40
KMT2A Q03164 5/20 0.39
HSP90AA1 P07900 4/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
ERCC5 P28715 1/20 0.36

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 0.85 RAB9A (0.59) RAB9AKMT2AMEN1ALDH1A1CYP2C19
Bromide SCHEMBL1193996 0.84 RAB9A (0.58) RAB9AKMT2AMEN1ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL287745 0.82 ALDH1A1 (0.43) RAB9AHDAC3KMT2AHSP90AA1MEN1
SCHEMBL6225447 0.81 RAB9A (0.42) RAB9AHDAC3KMT2AMEN1ALDH1A1
SCHEMBL6228170 0.81 RAB9A (0.48) RAB9AKMT2AHSP90AA1MEN1ALDH1A1
SCHEMBL30206621 0.81 RAB9A (0.42) RAB9AHDAC3KMT2AMEN1ALDH1A1
SCHEMBL6229031 0.81 KMT2A (0.49) RAB9AKMT2AHSP90AA1MEN1ALDH1A1
Bromide SCHEMBL1194277 0.80 GLA (0.42) RAB9AHDAC3KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL28477049 0.80 RAB9A (0.41) RAB9AHDAC3KMT2AMEN1ALDH1A1
Bromide SCHEMBL29494160 0.80 GLA (0.42) RAB9AHDAC3KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717727-B2 Pyridinium compounds TORRENT PHARMACEUTICALS LIMITED (IN) 2020-07-21 US claimed

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-10717727-B2 Pyridinium compounds CYP3A5, PLPBP, PDXK RAB9A 3699/4885HDAC3 1821/4885KMT2A 3736/4885

“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.