SCHEMBL638081

SCHEMBL638081

COc1cccc(C=Cc2nc3sccn3c(=O)c2-c2ccc(OC(F)(F)F)cc2)c1OCCCCF

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
APLNR P35414 1/20 0.33
PKM P14618 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
CA9 Q16790 1/20 0.31
GPR139 Q6DWJ6 2/20 0.31

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
SCHEMBL637598 0.94 APLNR (0.37) MAPTTP53APLNRPKML3MBTL1
SCHEMBL636159 0.94 APLNR (0.38) MAPTTP53APLNRPKML3MBTL1
SCHEMBL636196 0.93 APLNR (0.35) MAPTTP53APLNRPKML3MBTL1
SCHEMBL635933 0.93 HCRTR1 (0.36) MAPTTP53APLNRPKML3MBTL1
SCHEMBL638077 0.92 ACMSD (0.33) MAPTTP53APLNRPKML3MBTL1
SCHEMBL16966561 0.91 ACMSD (0.35) MAPTTP53APLNRPKML3MBTL1
SCHEMBL16966559 0.91 ACMSD (0.35) MAPTTP53APLNRPKML3MBTL1
SCHEMBL636240 0.91 GPR139 (0.33) MAPTTP53APLNRPKML3MBTL1
SCHEMBL636548 0.91 MAPT (0.35) MAPTTP53APLNRPKML3MBTL1
SCHEMBL4401369 0.91 GPR139 (0.33) MAPTTP53APLNRPKML3MBTL1

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 5 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 claimed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US claimed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US claimed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US claimed
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP 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-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 MAPT 2368/4885TP53 2290/4885APLNR 1090/4885

“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.