SCHEMBL2585833

SCHEMBL2585833

O=C1N(C(c2ccccc2)c2ccccc2)c2cccnc2C12COc1cc3c(cc12)OCCO3

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.49
SCN7A Q01118 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2305156 0.85 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15313059 0.85 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2579940 0.85 SCN9A (0.50) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305161 0.83 SCN9A (0.42) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3332268 0.81 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2306996 0.81 SCN9A (0.41) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305420 0.81 SCN9A (0.40) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2583417 0.79 ALDH1A1 (0.38) SCN9AALDH1A1GAA
SCHEMBL281330 0.79 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15312953 0.79 SCN9A (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US claimed
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US disclosed
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US disclosed
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US disclosed
WO-2010078307-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 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-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS SCN3A, SCN1B, SCN2B SCN9A 27/4885SCN7A 30/4885SCN5A 5/4885

“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.