SCHEMBL4597560

SCHEMBL4597560

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

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.86
ALDH3A1 P30838 11/20 0.76
ALDH1A1 P00352 7/20 0.76
ALDH2 P05091 5/20 0.76
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
CES1 P23141 2/20 0.64
CES2 O00748 1/20 0.64
BCHE P06276 1/20 0.64
CHRM5 P08912 1/20 0.62
CHRM1 P11229 1/20 0.62
CHRM3 P20309 1/20 0.62
CUL4A Q13619 1/20 0.56
APAF1 O14727 1/20 0.53

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
SCHEMBL28053294 0.92 ACHE (1.00) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL28026703 0.88 ACHE (0.67) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL29869527 0.88 ALDH3A1 (0.82) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL11186018 0.88 ALDH3A1 (0.82) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL5659265 0.87 ALDH1A1 (1.00) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL30937985 0.83 ACHE (0.77) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL4597660 0.82 CHRM5 (0.73) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL4597228 0.82 ACHE (0.77) ACHEALDH3A1ALDH1A1ALDH2CA12
SCHEMBL28464687 0.81 ACHE (0.73) ACHEALDH3A1ALDH1A1ALDH2CES1
SCHEMBL28053364 0.81 ACHE (1.00) ACHEALDH3A1ALDH1A1ALDH2CHRM5

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 ACHE 270/4885ALDH3A1 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.