Hydrochloric Acid

Hydrochloric Acid

SCHEMBL635953

Cc1sc2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(=O)n2c1C.[Cl-]

nearest known ligand 0.54

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 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIN1 Q05586 10/20 0.39
GRIN2A Q12879 10/20 0.39
GRIA2 P42262 9/20 0.39
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 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 0.81 TP53 (0.54) PKMPOLBL3MBTL1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL636784 0.78 TP53 (0.56) PKMPOLBGRIN1GRIN2AGRIA2
Hydrochloric Acid SCHEMBL11000485 0.75 ALDH1A1 (0.68) PKMPOLBL3MBTL1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL636301 0.73 MAPT (0.41) PKMPOLBL3MBTL1APEX1HTT
Hydrochloric Acid SCHEMBL637346 0.73 ALDH1A1 (0.45) PKMPOLBL3MBTL1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL11003020 0.73 GRIA2 (0.43) POLBGRIN1GRIN2AGRIA2ALDH1A1
Hydrochloric Acid SCHEMBL637663 0.72 ALDH1A1 (0.52) PKMPOLBL3MBTL1HTTALDH1A1
Hydrochloric Acid SCHEMBL11005636 0.72 L3MBTL1 (0.36) POLBL3MBTL1APEX1HTTTDP1
Hydrochloric Acid SCHEMBL11002716 0.72 NPC1 (0.58) POLBALDH1A1KDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL10993011 0.72 RXFP1 (0.46) POLBTDP1ALDH1A1KDM4EMAPT

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 PKM 894/4885POLB 4400/4885L3MBTL1 4747/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 PKM 894/4885POLB 4400/4885L3MBTL1 4747/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 PKM 894/4885POLB 4400/4885L3MBTL1 4747/4885

“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.