SCHEMBL4253903

SCHEMBL4253903

NC(=O)c1ccc(Br)cc1Cl.O=S(=O)(O)/C=C/c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NFE2L2 Q16236 6/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRK1 P41145 1/20 0.40
CA12 O43570 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
SCHEMBL4260349 0.88 NFE2L2 (0.53) MAPTKDM4EALDH1A1NFE2L2NPC1
SCHEMBL4257690 0.87 KDM4E (0.48) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL4256234 0.86 NFE2L2 (0.48) MAPTKDM4EALDH1A1NPSR1NFE2L2
SCHEMBL5417556 0.83 CA12 (0.43) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL27738949 0.83 CA12 (0.43) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL4619057 0.82 CA12 (0.48) KDM4ENFE2L2RAB9AKMT2ACA12
SCHEMBL27717778 0.82 CA12 (0.48) KDM4ENFE2L2RAB9AKMT2ACA12
SCHEMBL4255196 0.81 NFE2L2 (0.47) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL4256604 0.81 NPC1 (0.41) MAPTKDM4EALDH1A1HSP90AA1NPSR1
SCHEMBL4260889 0.81 FLT1 (0.49) MAPTKDM4EALDH1A1HSP90AA1NPSR1

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 MAPT 4626/4885KDM4E 2160/4885ALDH1A1 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.