SCHEMBL2586626

SCHEMBL2586626

O=C1Nc2ncccc2C12COc1cc3c(cc12)OCCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.48
NPC1 O15118 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CALCA P06881 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL2578993 0.82 SCN9A (0.46) SCN9ANPC1CYP2C19CYP2C9KDM4E
SCHEMBL3326929 0.79 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2304747 0.79 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL385128 0.79 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2309503 0.75 SCN9A (0.39) SCN9ANPC1SCN7ASCN5ASCN2A
SCHEMBL3335162 0.74 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280646 0.71 SCN9A (0.58) SCN9ACYP2C19CYP2C9SCN7ASCN5A
SCHEMBL17169499 0.71 SCN9A (0.58) SCN9ACYP2C19CYP2C9SCN7ASCN5A
SCHEMBL15312950 0.71 SCN9A (0.58) SCN9ACYP2C19CYP2C9SCN7ASCN5A
SCHEMBL3332481 0.71 SCN9A (0.46) SCN9ACYP2C19KDM4EMEN1ALDH1A1

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 27/4885NPC1 793/4885CYP2C19 721/4885

“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.