SCHEMBL4597085

SCHEMBL4597085

O=C(O)c1ccccc1CN1C(=O)C(CO)(c2cc3c(cc2O)OCO3)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.48
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL27728422 0.93 SCN9A (0.52) SCN9AALDH1A1MEN1KMT2AUSP2
SCHEMBL4939376 0.92 SCN9A (0.47) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL281905 0.89 SCN9A (0.48) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL4557308 0.87 SCN9A (0.47) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL4595630 0.86 ALDH1A1 (0.53) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL4597663 0.86 ALDH1A1 (0.55) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL3007855 0.85 SCN9A (0.52) SCN9AALDH1A1MEN1KMT2AGAA
SCHEMBL1612150 0.85 SCN9A (0.56) SCN9AALDH1A1MEN1KMT2A
SCHEMBL27707824 0.83 SCN9A (0.49) SCN9AALDH1A1MEN1KMT2AGAA
SCHEMBL27707822 0.82 SCN9A (0.51) SCN9AALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP claimed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO claimed
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed