SCHEMBL2578993

SCHEMBL2578993

O=C1Nc2cccnc2C12COc1cc3c(cc12)OCCO3

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.46
RAB9A P51151 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
OTUD7B Q6GQQ9 2/20 0.32
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
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NPC1 O15118 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
SCHEMBL2586626 0.82 SCN9A (0.48) SCN9ARAB9ACYP2C19CYP2C9KDM4E
SCHEMBL385128 0.82 SCN9A (0.58) SCN9AMEN1ALDH1A1GAAKMT2A
SCHEMBL2304747 0.82 SCN9A (0.58) SCN9AMEN1ALDH1A1GAAKMT2A
SCHEMBL3326929 0.82 SCN9A (0.58) SCN9AMEN1ALDH1A1GAAKMT2A
SCHEMBL3334991 0.78 SCN9A (0.41) SCN9ARAB9AMEN1GAAMAPT
SCHEMBL2305788 0.78 SCN9A (0.41) SCN9ARAB9AKDM4EALDH1A1GAA
SCHEMBL3327992 0.78 SCN9A (0.41) SCN9AMEN1GAAMAPTKMT2A
SCHEMBL3335162 0.77 SCN9A (0.56) SCN9AMEN1ALDH1A1GAAKMT2A
SCHEMBL3332481 0.76 SCN9A (0.46) SCN9ARAB9ACYP2C19KDM4EMEN1
SCHEMBL13434824 0.74 SCN9A (0.38) SCN9ARAB9AKDM4EMEN1ALDH1A1

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 27/4885RAB9A 1449/4885CYP2C19 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.