Sugi Predict

Sugi Predict / Compounds / SCHEMBL4402152

SCHEMBL4402152

SCHEMBL4402152

COc1cccc(/C=C/c2nc3sccn3c(=O)c2-c2ccc(N(C)C)cc2)c1OCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 2/20 0.34
▸ ACMSD Q8TDX5 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 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
SCHEMBL636917 1.00 KDM4E (0.35) KDM4EPKMACMSDPIK3CDL3MBTL1
SCHEMBL4399931 0.90 KDM4E (0.34) KDM4EPKMACMSDL3MBTL1HTT
SCHEMBL16966540 0.90 KDM4E (0.34) KDM4EPKMACMSDL3MBTL1HTT
SCHEMBL636853 0.89 ACMSD (0.39) KDM4EPKMACMSDPIK3CDL3MBTL1
SCHEMBL635527 0.89 NFE2L2 (0.39) KDM4EPKMACMSDPIK3CDL3MBTL1
SCHEMBL637136 0.88 ACMSD (0.34) KDM4EPKMACMSDL3MBTL1LMNA
SCHEMBL635804 0.88 GPR139 (0.34) KDM4EPKMACMSDPIK3CDL3MBTL1
SCHEMBL636262 0.86 KLKB1 (0.34) KDM4EACMSDHTTLMNANFE2L2
SCHEMBL636261 0.86 KLKB1 (0.34) KDM4EACMSDHTTLMNANFE2L2
SCHEMBL636255 0.84 PKM (0.37) KDM4EPKMACMSDL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 — — US disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 — — US disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 — — US 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-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 (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 KDM4E 3735/4885PKM 894/4885ACMSD 2943/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 KDM4E 3735/4885PKM 894/4885ACMSD 2943/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 KDM4E 3735/4885PKM 894/4885ACMSD 2943/4885

“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.