SCHEMBL4258093

SCHEMBL4258093

COc1ccc(/C=C/S(=O)(=O)O)cn1.Cc1cc(Cl)ccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL4258557 0.92 MAOA (0.44) NNMTMAOAMAOBMEN1USP2
SCHEMBL4258491 0.84 NPC1 (0.42) NNMTMAOAMAOBMEN1USP2
SCHEMBL4258099 0.82 FLT1 (0.46) MAOAMAOBMEN1USP2PABPC1
SCHEMBL4258092 0.82 FLT1 (0.46) MAOAMAOBMEN1USP2PABPC1
SCHEMBL4255430 0.80 NFE2L2 (0.52) KMT2AMKNK1MKNK2NFE2L2ALDH1A1
SCHEMBL27726710 0.80 NFE2L2 (0.52) KMT2AMKNK1MKNK2NFE2L2ALDH1A1
SCHEMBL363188 0.79 MAOB (0.60) MAOAMAOBMEN1USP2PABPC1
SCHEMBL5415606 0.79 NFE2L2 (0.53) MAOAMAOBMEN1KMT2ANFE2L2
SCHEMBL27738953 0.79 PTGS2 (0.43) MAOAMAOBMEN1KMT2ANFE2L2
SCHEMBL27717781 0.79 CYP1A2 (0.46) MAOAMAOBMEN1KMT2ANFE2L2

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 NNMT 2349/4885MAOA 1031/4885MAOB 1046/4885

“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.