SCHEMBL4597660

SCHEMBL4597660

O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)cc21

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.73
ALDH3A1 P30838 8/20 0.65
ALDH1A1 P00352 5/20 0.65
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA9 Q16790 2/20 0.65
ALDH2 P05091 1/20 0.65
CES2 O00748 1/20 0.64
BCHE P06276 1/20 0.64
CES1 P23141 1/20 0.64
PARK7 Q99497 3/20 0.61
ACHE P22303 1/20 0.58
CASP3 P42574 1/20 0.57
CASP7 P55210 1/20 0.57

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
SCHEMBL29870136 0.91 ALDH3A1 (0.74) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL11186018 0.88 ALDH3A1 (0.82) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL29869527 0.88 ALDH3A1 (0.82) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL10979016 0.87 ALDH1A1 (0.69) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL578265 0.87 PARK7 (0.74) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL30937981 0.85 CHRM5 (1.00) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL3021031 0.83 CHRM5 (0.72) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL4597228 0.82 ACHE (0.77) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL4597560 0.82 ACHE (0.86) CHRM5ALDH3A1ALDH1A1CA12CA1
SCHEMBL22410741 0.81 ACHE (0.75) CHRM5ALDH3A1ALDH1A1CA12CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 CHRM5 355/4885ALDH3A1 1159/4885ALDH1A1 1136/4885

“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.