SCHEMBL2583359

SCHEMBL2583359

O=C1N(C(c2ccccc2)c2ccccc2)c2cccnc2C1(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.38
▸ LMNA P02545 2/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ MGLL Q99685 2/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL2590024 0.77 CYP19A1 (0.38) CYP19A1LMNAOPRM1OPRD1OPRK1
SCHEMBL1149635 0.75 EGLN1 (0.43) KDM4ENPSR1ALDH1A1HTTHSD17B10
SCHEMBL2579627 0.69 ALDH1A1 (0.42) CYP19A1LMNAKDM4EMAPTNPSR1
SCHEMBL1149632 0.65 ALDH1A1 (0.48) CYP19A1LMNAOPRM1OPRD1OPRK1
SCHEMBL2587677 0.63 PTPRC (0.42) CYP19A1LMNAKDM4EMAPTNPSR1
SCHEMBL2175411 0.59 MGLL (0.44) CYP19A1LMNAOPRM1KDM4EMAPT
SCHEMBL281336 0.59 CES1 (0.50) NPSR1ALDH1A1GAA
SCHEMBL1234120 0.58 EGLN1 (0.39) KDM4EMYCEGLN1IDO1
SCHEMBL28012008 0.57 HPGD (0.51) OPRM1OPRK1OPRL1KDM4EMAPT
SCHEMBL25890257 0.57 LMNA (0.39) LMNAKDM4EMAPTALDH1A1HTT

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 2 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 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 CYP19A1 2899/4885LMNA 1242/4885OPRM1 75/4885

“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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