SCHEMBL281187

SCHEMBL281187

O=C1N(Cc2cccc([N+](=O)[O-])c2)c2ccccc2C12COc1cc3c(cc12)OCO3

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.58
SCN7A Q01118 1/20 0.57
SCN5A Q14524 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN8A Q9UQD0 1/20 0.57
SCN10A Q9Y5Y9 1/20 0.57
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3333382 0.94 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2308263 0.90 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281281 0.86 SCN9A (0.69) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281292 0.85 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19562175 0.85 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281316 0.85 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281506 0.84 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281332 0.82 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281210 0.82 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281110 0.82 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP claimed
US-7700641-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-04-20 US claimed
EP-3241834-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2017-11-08 EP disclosed
EP-2428515-B9 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-09-17 EP disclosed
EP-2752417-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2014-07-09 EP disclosed
EP-2428515-B1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-05-07 EP disclosed
EP-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed
EP-2073806-B1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-15 EP disclosed
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed