SCHEMBL2583417

SCHEMBL2583417

O=C1N(C(c2ccccc2)c2ccccc2)c2cccnc2C1(O)c1cc2c(cc1O)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
SCN9A Q15858 6/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP7 Q93009 1/20 0.33
P4HB P07237 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3329348 0.88 SCN9A (0.41) ALDH1A1GAASCN9AMAPTSMN1; SMN2
SCHEMBL2581394 0.85 SCN9A (0.35) ALDH1A1GAARAB9ANPC1SCN9A
SCHEMBL3329230 0.84 SCN9A (0.43) ALDH1A1GAARAB9ANPC1SCN9A
SCHEMBL281702 0.81 SCN9A (0.46) ALDH1A1GAASCN9AMAPTMEN1
SCHEMBL2309109 0.81 ALDH1A1 (0.37) ALDH1A1GAARAB9ANPC1SCN9A
SCHEMBL2356993 0.81 ALDH1A1 (0.37) ALDH1A1GAARAB9ANPC1SCN9A
SCHEMBL2303221 0.79 MAPT (0.38) ALDH1A1GAASCN9AMAPTSMN1; SMN2
SCHEMBL2585833 0.79 SCN9A (0.49) ALDH1A1GAASCN9A
SCHEMBL15315022 0.79 ALDH1A1 (0.41) ALDH1A1GAASCN9AMAPTSMN1; SMN2
SCHEMBL3334171 0.78 ALDH1A1 (0.34) ALDH1A1GAARAB9ANPC1SCN9A

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 1 patent. 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 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 ALDH1A1 618/4885GAA 3307/4885RAB9A 1449/4885

“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.