SCHEMBL4261806

SCHEMBL4261806

Cc1cc(Cl)ccc1C(N)=O.O=S(=O)(O)/C=C/c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.50
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ANO1 Q5XXA6 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GPR52 Q9Y2T5 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRK1 P41145 1/20 0.38
PKM P14618 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL4260349 0.90 NFE2L2 (0.53) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4257690 0.86 KDM4E (0.48) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4261051 0.86 NFE2L2 (0.47) NFE2L2RAB9AALDH1A1ANO1KDM4E
SCHEMBL4256576 0.85 GPR52 (0.44) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27726718 0.85 GPR52 (0.44) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5415469 0.83 PTGS2 (0.43) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27738953 0.83 PTGS2 (0.43) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5420996 0.81 NFE2L2 (0.41) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27739103 0.81 NFE2L2 (0.41) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27717781 0.81 CYP1A2 (0.46) NFE2L2RAB9AALDH1A1HPGDSMN1; SMN2

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 6 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 claimed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
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 270/4885RAB9A 833/4885ALDH1A1 148/4885

“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.