SCHEMBL3329934

SCHEMBL3329934

COc1ccc(CN2C(=O)C(=O)c3c2ccc2ncccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.48
BRD4 O60885 1/20 0.48
CHRM5 P08912 3/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CMA1 P23946 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
NPBWR1 P48145 1/20 0.44
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
APP P05067 1/20 0.42
SNCA P37840 1/20 0.42

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
SCHEMBL2307439 0.77 CHRM5 (0.47) CASP3BRD4CHRM5CA12CA1
SCHEMBL29460878 0.73 CASP3 (0.54) CASP3CHRM5CA12CA1CA2
SCHEMBL4739205 0.73 CASP3 (0.54) CASP3CHRM5CA12CA1CA2
SCHEMBL2305451 0.70 CASP3 (0.76) CASP3CHRM5CA12CA1CA2
SCHEMBL29460856 0.70 CASP3 (0.76) CASP3CHRM5CA12CA1CA2
SCHEMBL24138327 0.69 PDE5A (0.54) KDM4EHKDC1MAPTTHRB
SCHEMBL31138328 0.69 PDE5A (0.54) KDM4EHKDC1MAPTTHRB
SCHEMBL22532919 0.68 KDM4E (0.59) CASP3CHRM5CA12CA1CA2
SCHEMBL31138351 0.67 KDM4E (0.53) CASP3BRD4GSK3AGSK3BCMA1
SCHEMBL24138152 0.67 KDM4E (0.53) CASP3BRD4GSK3AGSK3BCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 US disclosed
EP-2942350-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2015-11-11 EP disclosed
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US disclosed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP disclosed
US-8916580-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2014-12-23 US disclosed
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-09-26 US disclosed
US-8415370-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-04-09 US disclosed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US disclosed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 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 (5 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-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CASP3 518/4885BRD4 2360/4885CHRM5 2443/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CASP3 518/4885BRD4 2360/4885CHRM5 2443/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CASP3 518/4885BRD4 2360/4885CHRM5 2443/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 CASP3 602/4885BRD4 2459/4885CHRM5 2325/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CASP3 518/4885BRD4 2360/4885CHRM5 2443/4885

“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.