SCHEMBL2586519

SCHEMBL2586519

O=C1N(Cc2ncccc2C(F)(F)F)c2ncccc2C12COc1cc3c(cc12)OCCO3

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.82
SCN7A Q01118 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
EPHX2 P34913 1/20 0.34

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
SCHEMBL1612449 0.90 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL1613112 0.90 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12314757 0.90 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2306089 0.88 SCN9A (0.77) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2579654 0.87 SCN9A (0.85) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12157709 0.86 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2303907 0.85 SCN9A (0.81) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18215662 0.85 SCN9A (0.90) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3329687 0.84 SCN9A (0.80) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2308037 0.84 SCN9A (0.80) 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
WO-2010078307-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 WO 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.