SCHEMBL4253744

SCHEMBL4253744

NC(=O)c1ccc(Cl)cc1Cl.O=S(=O)(O)/C=C/c1sccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 2/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
FLT1 P17948 6/20 0.38
FLT4 P35916 6/20 0.38
KDR P35968 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 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
SCHEMBL4261111 0.86 FLT1 (0.38) CA9CA1CA2CA12CA3
SCHEMBL4261533 0.81 FLT1 (0.50) FLT1FLT4KDRSMN1; SMN2NPC1
SCHEMBL4261538 0.81 FLT1 (0.50) FLT1FLT4KDRSMN1; SMN2NPC1
SCHEMBL4256675 0.80 FLT1 (0.40) CA9CA12FLT1FLT4KDR
SCHEMBL4253943 0.79 AVPR2 (0.43) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL4255224 0.79 LMNA (0.48) FLT1FLT4KDRSMN1; SMN2ALDH1A1
SCHEMBL4618879 0.77 SMN1; SMN2 (0.44) FLT1FLT4KDRSMN1; SMN2ALDH1A1
SCHEMBL4261274 0.76 SMN1; SMN2 (0.38) FLT1FLT4KDRSMN1; SMN2ALDH1A1
SCHEMBL4618030 0.75 SMN1; SMN2 (0.49) CA9CA1CA2CA12FLT1
SCHEMBL4618986 0.75 PPARG (0.47) FLT1FLT4KDRSMN1; SMN2ALDH1A1

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 CA9 3920/4885CA1 4627/4885CA2 3490/4885

“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.