Hydrochloric Acid

Hydrochloric Acid

SCHEMBL637346

O=c1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc2scc(C(F)(F)F)n12.[Cl-]

nearest known ligand 0.45

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 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 9/20 0.39
RXFP1 Q9HBX9 7/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
PKM P14618 3/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL638066 0.82 TP53 (0.54) ALDH1A1L3MBTL1NPSR1POLBRXFP1
Hydrochloric Acid SCHEMBL11000485 0.81 ALDH1A1 (0.68) ALDH1A1L3MBTL1NPSR1POLBRXFP1
Hydrochloric Acid SCHEMBL10998879 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1NPSR1POLBRXFP1
Hydrochloric Acid SCHEMBL10993011 0.74 RXFP1 (0.46) ALDH1A1POLBRXFP1MEN1KMT2A
Hydrochloric Acid SCHEMBL635953 0.73 PKM (0.54) ALDH1A1L3MBTL1NPSR1POLBRXFP1
Hydrochloric Acid SCHEMBL637663 0.72 ALDH1A1 (0.52) ALDH1A1L3MBTL1POLBRXFP1MEN1
Hydrochloric Acid SCHEMBL11005636 0.72 L3MBTL1 (0.36) ALDH1A1L3MBTL1NPSR1POLBRXFP1
Hydrochloric Acid SCHEMBL636301 0.71 MAPT (0.41) ALDH1A1L3MBTL1NPSR1POLBRXFP1
Hydrochloric Acid SCHEMBL636784 0.71 TP53 (0.56) POLBRXFP1SMN1; SMN2TP53GAA
Hydrochloric Acid SCHEMBL11002716 0.68 NPC1 (0.58) ALDH1A1POLBSMN1; SMN2TP53MAPT

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-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US disclosed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US disclosed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 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 (3 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-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ALDH1A1 3118/4885L3MBTL1 4747/4885NPSR1 437/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ALDH1A1 3118/4885L3MBTL1 4747/4885NPSR1 437/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ALDH1A1 3118/4885L3MBTL1 4747/4885NPSR1 437/4885

“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.