SCHEMBL4255196

SCHEMBL4255196

NC(=O)c1ccc(F)cc1Br.O=S(=O)(O)/C=C/c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.47
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PADI4 Q9UM07 1/20 0.35

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
SCHEMBL4256234 0.87 NFE2L2 (0.48) NFE2L2KDM4EMAPTALDH1A1HPGD
SCHEMBL4256604 0.86 NPC1 (0.41) NFE2L2KDM4EMAPTALDH1A1HPGD
SCHEMBL4253725 0.84 NFE2L2 (0.46) NFE2L2KDM4EMAPTALDH1A1HPGD
SCHEMBL4256700 0.84 TGFBR1 (0.41) NFE2L2KDM4EALDH1A1HPGDNPSR1
SCHEMBL27726688 0.84 TGFBR1 (0.41) NFE2L2KDM4EALDH1A1HPGDNPSR1
SCHEMBL27717784 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10LMNAHTR2A
SCHEMBL5426631 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10LMNAHTR2A
SCHEMBL4253903 0.81 MAPT (0.49) NFE2L2KDM4EMAPTALDH1A1HPGD
SCHEMBL4255193 0.80 NFE2L2 (0.47) NFE2L2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL4255200 0.80 NFE2L2 (0.47) NFE2L2KDM4EMAPTALDH1A1HSP90AA1

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 270/4885KDM4E 2160/4885MAPT 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.