SCHEMBL2307595

SCHEMBL2307595

O=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 4/20 0.42
CASP3 P42574 2/20 0.40
NSD2 O96028 1/20 0.39
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
EGFR P00533 1/20 0.36
CHRM5 P08912 1/20 0.36
CES1 P23141 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CES2 O00748 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2304183 0.88 PARK7 (0.51) PARK7CASP3NSD2TDO2IDO2
SCHEMBL281336 0.80 CES1 (0.50) PARK7CASP3CES1NPSR1CES2
SCHEMBL17254677 0.78 PARK7 (0.45) PARK7CASP3NSD2CHRM5CES1
SCHEMBL14876481 0.75 ALDH1A1 (0.58) PARK7NPSR1ALDH1A1GAAMEN1
SCHEMBL2304592 0.74 CHRM5 (0.43) CASP3CHRM5CES1NPSR1ALDH1A1
SCHEMBL281978 0.73 ALDH1A1 (0.48) TDO2IDO2ALDH1A1MEN1KMT2A
SCHEMBL2304466 0.73 ALDH1A1 (0.54) TDO2IDO2CHRM5CES1ALDH1A1
SCHEMBL2306608 0.73 CHRM1 (0.49) PARK7CHRM5CES1NPSR1CES2
SCHEMBL2364860 0.72 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AKDM4ELMNA
Hexane SCHEMBL28139534 0.72 ALDH1A1 (0.56) CES1NPSR1CES2ALDH1A1BCHE

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 13 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
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 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 (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 PARK7 1303/4885CASP3 518/4885NSD2 4170/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PARK7 1303/4885CASP3 518/4885NSD2 4170/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PARK7 1303/4885CASP3 518/4885NSD2 4170/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 PARK7 1339/4885CASP3 602/4885NSD2 4202/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PARK7 1303/4885CASP3 518/4885NSD2 4170/4885

“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.