SCHEMBL4260845

SCHEMBL4260845

NS(=O)(=O)C=Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.58
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 2/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
VCP P55072 1/20 0.50
ALOX5 P09917 2/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PFKFB3 Q16875 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GRM4 Q14833 1/20 0.45

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
SCHEMBL4260836 1.00 NFE2L2 (0.58) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL4253742 0.81 NFE2L2 (0.58) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL15758245 0.81 NFE2L2 (0.62) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL4253739 0.81 NFE2L2 (0.58) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL15758243 0.81 NFE2L2 (0.62) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL24909548 0.81 NFE2L2 (0.58) NFE2L2CYP11B1CYP11B2RAB9AMAPT
Potassium Ion SCHEMBL29911106 0.80 NFE2L2 (0.56) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL27236305 0.77 NFE2L2 (0.69) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL24909550 0.77 NFE2L2 (0.69) NFE2L2CYP11B1CYP11B2RAB9AMAPT
SCHEMBL29691623 0.77 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 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-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP1A1, CYP3A5 NFE2L2 270/4885CYP11B1 10/4885CYP11B2 15/4885

“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.