SCHEMBL4597126

SCHEMBL4597126

O=C1C(=O)N(CCc2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.77
▸ ALDH2 P05091 4/20 0.77
▸ ALDH3A1 P30838 4/20 0.77
▸ PARK7 Q99497 2/20 0.77
▸ CES1 P23141 8/20 0.75
▸ BCHE P06276 4/20 0.75
▸ CES2 O00748 1/20 0.75
▸ DRD2 P14416 1/20 0.67
▸ DRD4 P21917 1/20 0.67
▸ PKM P14618 1/20 0.64
▸ ACHE P22303 2/20 0.59
▸ CHRM1 P11229 2/20 0.58
▸ CASP3 P42574 1/20 0.56
▸ CHRM5 P08912 1/20 0.56
▸ CHRM3 P20309 1/20 0.56
▸ APAF1 O14727 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL16799085 0.87 ALDH1A1 (1.00) ALDH1A1ALDH2ALDH3A1PARK7CES1
SCHEMBL3745584 0.86 CASP3 (0.77) ALDH1A1ALDH2ALDH3A1PARK7CES1
SCHEMBL3027106 0.86 CES1 (1.00) ALDH1A1ALDH2ALDH3A1CES1BCHE
SCHEMBL16112176 0.84 ALDH3A1 (0.71) ALDH1A1ALDH2ALDH3A1PARK7CES1
SCHEMBL16044593 0.82 ALDH1A1 (1.00) ALDH1A1ALDH2ALDH3A1PARK7PKM
SCHEMBL18669052 0.82 CASP3 (0.65) ALDH1A1ALDH2ALDH3A1CASP3MAPT
SCHEMBL9097081 0.81 DRD4 (1.00) ALDH1A1ALDH3A1CES1BCHECES2
SCHEMBL19924204 0.80 CES1 (1.00) ALDH1A1ALDH2ALDH3A1PARK7CES1
SCHEMBL9235424 0.79 DRD2 (0.86) ALDH1A1ALDH3A1CES1BCHECES2
SCHEMBL18288159 0.79 CES1 (0.90) ALDH1A1ALDH2ALDH3A1PARK7CES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 — — WO disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 — — EP disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 — — US disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 — — 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 ALDH1A1 1136/4885ALDH2 720/4885ALDH3A1 1159/4885

“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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