SCHEMBL4255200

SCHEMBL4255200

O=C(NS(=O)(=O)C=Cc1ccccn1)c1ccc(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.47
NLRP3 Q96P20 1/20 0.46
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
F2R P25116 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRK1 P41145 1/20 0.37
PADI4 Q9UM07 1/20 0.37

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
SCHEMBL4255193 1.00 NFE2L2 (0.47) NFE2L2NLRP3MAPTKDM4EF2R
SCHEMBL4256611 0.86 RAB9A (0.46) NFE2L2NLRP3MAPTKDM4EPTGS1
SCHEMBL4256603 0.86 RAB9A (0.46) NFE2L2NLRP3MAPTKDM4EPTGS1
SCHEMBL4256232 0.86 GRM4 (0.49) NFE2L2NLRP3PTGS1PTGS2ALDH1A1
SCHEMBL4256236 0.86 GRM4 (0.49) NFE2L2NLRP3PTGS1PTGS2ALDH1A1
SCHEMBL4255188 0.84 NFE2L2 (0.46) NFE2L2NLRP3PTGS1PTGS2EGFR
SCHEMBL4255194 0.84 NFE2L2 (0.46) NFE2L2NLRP3PTGS1PTGS2EGFR
SCHEMBL4260741 0.84 F2R (0.42) NFE2L2F2RALDH1A1NPC1AGTR1
SCHEMBL4260736 0.84 F2R (0.42) NFE2L2F2RALDH1A1NPC1AGTR1
SCHEMBL5426634 0.83 KMT2A (0.52) KDM4EF2RALDH1A1LMNAEGFR

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 270/4885NLRP3 1732/4885MAPT 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.