SCHEMBL4257690

SCHEMBL4257690

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFE2L2 Q16236 6/20 0.39
MEN1 O00255 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4253903 0.87 MAPT (0.49) KDM4EMAPTALDH1A1HSP90AA1NPSR1
SCHEMBL4261806 0.86 NFE2L2 (0.50) KDM4EMAPTALDH1A1PTGS1PTGS2
SCHEMBL4256604 0.84 NPC1 (0.41) KDM4EMAPTALDH1A1HSP90AA1NPSR1
SCHEMBL5411190 0.83 PTGS2 (0.43) KDM4EMAPTALDH1A1HSP90AA1NPSR1
SCHEMBL27739136 0.83 PTGS2 (0.43) KDM4EMAPTALDH1A1HSP90AA1NPSR1
SCHEMBL4255157 0.80 MKNK1 (0.49) KDM4EMAPTPTGS1PTGS2CYP1A2
SCHEMBL27706028 0.80 MKNK1 (0.49) KDM4EMAPTPTGS1PTGS2CYP1A2
SCHEMBL4257698 0.80 NLRP3 (0.48) KDM4EMAPTALDH1A1HSP90AA1NPSR1
SCHEMBL4620425 0.80 CA12 (0.44) MAPTNFE2L2CA12CA9SMN1; SMN2
SCHEMBL4255196 0.80 NFE2L2 (0.47) KDM4EMAPTALDH1A1HSP90AA1NPSR1

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 KDM4E 2160/4885MAPT 4626/4885ALDH1A1 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.