SCHEMBL2587677

SCHEMBL2587677

O=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ncccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ PTPN13 Q12923 1/20 0.42
▸ CASP3 P42574 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TDP2 O95551 2/20 0.38
▸ NSD2 O96028 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL3332344 0.79 PTPRC (0.42) PTPRCCTSLCTSSPTPN13CASP3
SCHEMBL2579627 0.75 ALDH1A1 (0.42) PTPRCCTSLCTSSPTPN13MEN1
SCHEMBL281336 0.75 CES1 (0.50) CASP3CES1GAAALDH1A1PKM
SCHEMBL2477071 0.69 CASP3 (0.52) PTPRCCTSLCTSSPTPN13CASP3
SCHEMBL2304508 0.69 CASP3 (0.41) PTPRCCASP3MEN1KMT2AALDH1A1
SCHEMBL2304592 0.69 CHRM5 (0.43) PTPRCCASP3MEN1KMT2ACES1
SCHEMBL2473625 0.69 CASP3 (0.61) CASP3CES1ALDH1A1NPSR1MAPT
SCHEMBL2590024 0.69 CYP19A1 (0.38) MEN1KMT2AGAAALDH1A1CYP19A1
SCHEMBL2306608 0.68 CHRM1 (0.49) PTPRCCES1GAAALDH1A1NPSR1
Hexane SCHEMBL28139534 0.67 ALDH1A1 (0.56) CES1GAAALDH1A1PKMNPSR1

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 PTPRC 1640/4885CTSL 3563/4885CTSS 3485/4885

“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.

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