Hydrochloric Acid

Hydrochloric Acid

SCHEMBL636784

Cc1cn2c(=O)cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc2s1.[Cl-]

nearest known ligand 0.56

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 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.54
MAPT P10636 10/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 1/20 0.50
GRIA2 P42262 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
THRB P10828 1/20 0.47

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 SCHEMBL636301 0.85 MAPT (0.41) TP53LMNAPKMMAPTPOLB
Hydrochloric Acid SCHEMBL10845772 0.82 TP53 (0.44) TP53LMNAMAPTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL638066 0.78 TP53 (0.54) TP53LMNAPKMMAPTPOLB
Hydrochloric Acid SCHEMBL635953 0.78 PKM (0.54) TP53PKMMAPTPOLBRXFP1
Hydrochloric Acid SCHEMBL637663 0.78 ALDH1A1 (0.52) LMNAPKMMAPTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL20515263 0.77 GRIN1 (0.58) TP53LMNAPKMMAPTPOLB
SCHEMBL637747 0.74 MAPT (0.62) TP53LMNAPKMMAPTPOLB
SCHEMBL17958112 0.74 GRIN1 (0.80) TP53LMNAPKMMAPTPOLB
Hydrochloric Acid SCHEMBL11003020 0.73 GRIA2 (0.43) TP53LMNAMAPTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL11005636 0.72 L3MBTL1 (0.36) TP53LMNAMAPTPOLBRXFP1

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 TP53 2290/4885LMNA 2744/4885PKM 894/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 TP53 2290/4885LMNA 2744/4885PKM 894/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 TP53 2290/4885LMNA 2744/4885PKM 894/4885

“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.