SCHEMBL4255157

SCHEMBL4255157

Cc1cc(Br)ccc1C(N)=O.O=S(=O)(O)/C=C/c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NFE2L2 Q16236 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 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
SCHEMBL27706028 1.00 MKNK1 (0.49) MKNK1MKNK2ALOX5PTGS1PTGS2
SCHEMBL4260436 0.89 MKNK1 (0.51) MKNK1MKNK2ALOX5PTGS1PTGS2
SCHEMBL27706034 0.89 MKNK1 (0.51) MKNK1MKNK2ALOX5PTGS1PTGS2
SCHEMBL4255145 0.88 MKNK1 (0.50) MKNK1MKNK2CYP1A2CYP3A4CYP2D6
SCHEMBL27706029 0.88 MKNK1 (0.50) MKNK1MKNK2CYP1A2CYP3A4CYP2D6
SCHEMBL4255430 0.87 NFE2L2 (0.52) MKNK1MKNK2ALOX5PTGS1PTGS2
SCHEMBL27726710 0.87 NFE2L2 (0.52) MKNK1MKNK2ALOX5PTGS1PTGS2
SCHEMBL27739136 0.86 PTGS2 (0.43) ALOX5PTGS1PTGS2CYP1B1KMT2A
SCHEMBL5411190 0.86 PTGS2 (0.43) ALOX5PTGS1PTGS2CYP1B1KMT2A
SCHEMBL4259085 0.85 ALOX5 (0.41) MKNK1MKNK2ALOX5PTGS1PTGS2

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
CN-101208325-A Heteroarylvinyl derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN 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
CN-101208325-A Heteroarylvinyl derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN 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 MKNK1 4602/4885MKNK2 4717/4885ALOX5 641/4885

“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.