SCHEMBL4256604

SCHEMBL4256604

Cc1ccc(C(N)=O)c(Br)c1.O=S(=O)(O)/C=C/c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFE2L2 Q16236 8/20 0.39
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 2/20 0.38
CDK5 Q00535 2/20 0.38
KLF5 Q13887 2/20 0.38
CDK5R1 Q15078 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL4255196 0.86 NFE2L2 (0.47) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4257690 0.84 KDM4E (0.48) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5416951 0.83 SMN1; SMN2 (0.46) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL27738925 0.83 SMN1; SMN2 (0.46) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL4253903 0.81 MAPT (0.49) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL4259085 0.80 ALOX5 (0.41) NPC1RAB9AMAPTNFKB1KDM4E
SCHEMBL27726714 0.80 ALOX5 (0.41) NPC1RAB9AMAPTNFKB1KDM4E
SCHEMBL4256611 0.80 RAB9A (0.46) NPC1RAB9AMAPTGAANFKB1
SCHEMBL4256603 0.80 RAB9A (0.46) NPC1RAB9AMAPTGAANFKB1
SCHEMBL4261806 0.80 NFE2L2 (0.50) NPC1RAB9AMAPTKDM4EALDH1A1

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 8 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
EP-1904471-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-02 EP claimed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
WO-2007006459-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO 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 NPC1 254/4885RAB9A 833/4885MAPT 4626/4885

“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.