SCHEMBL10145355

SCHEMBL10145355

COc1cccc(/C=C/c2nc3sccn3c(=O)c2-c2ccc(OC(F)F)cc2)c1OCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR139 Q6DWJ6 1/20 0.33
PIK3CD O00329 2/20 0.32
PKM P14618 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARD Q03181 2/20 0.31
PPARA Q07869 1/20 0.31
TPH1 P17752 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
EDNRA P25101 1/20 0.30
MGAM O43451 1/20 0.30

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
SCHEMBL636240 0.91 GPR139 (0.33) GPR139PIK3CDPKMTP53MAPT
SCHEMBL4401369 0.91 GPR139 (0.33) GPR139PIK3CDPKMTP53MAPT
SCHEMBL636161 0.89 NFE2L2 (0.38) RXFP1SMN1; SMN2GPR139PIK3CDPKM
SCHEMBL4399951 0.88 PDE4B (0.36) RXFP1HTTSMN1; SMN2PKMTP53
SCHEMBL635984 0.88 PDE4B (0.36) RXFP1HTTSMN1; SMN2PKMTP53
SCHEMBL636905 0.87 ACMSD (0.38) RXFP1SMN1; SMN2PIK3CDPKMTP53
SCHEMBL635804 0.83 GPR139 (0.34) GPR139PIK3CDPKMTP53MAPT
SCHEMBL635933 0.82 HCRTR1 (0.36) GPR139PKMTP53MAPTACMSD
SCHEMBL636196 0.82 APLNR (0.35) GPR139PKMTP53MAPTACMSD
SCHEMBL636159 0.82 APLNR (0.38) GPR139PKMTP53MAPTACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 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
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 (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-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 RXFP1 1224/4885HTT 1988/4885SMN1; SMN2 3863/4885

“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.