SCHEMBL5429859

SCHEMBL5429859

COc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c32)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.47
▸ ALDH2 P05091 4/20 0.47
▸ ALDH3A1 P30838 4/20 0.47
▸ PARK7 Q99497 1/20 0.46
▸ APLNR P35414 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL5429853 0.82 ALDH3A1 (0.54) CHRM5ALDH1A1ALDH2ALDH3A1PARK7
SCHEMBL5432840 0.77 MAPT (0.54) ALDH1A1APLNRMAPTMEN1KMT2A
SCHEMBL5424603 0.76 TP53 (0.60) CHRM5ALDH1A1ALDH2ALDH3A1PARK7
SCHEMBL5427833 0.74 ALDH3A1 (0.59) CHRM5ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL13486597 0.74 GSK3A (0.58) ALDH1A1APLNRMAPTMEN1KMT2A
SCHEMBL9387548 0.73 RAB9A (0.60) APLNRCASP3MEN1KMT2AKDM4E
SCHEMBL5427094 0.73 PARK7 (0.54) CHRM5PARK7MAPTTP53
SCHEMBL19577090 0.73 APLNR (0.54) ALDH1A1APLNRMAPTMEN1KMT2A
SCHEMBL22616743 0.72 APLNR (0.53) ALDH1A1APLNRMAPTMEN1KMT2A
SCHEMBL16047437 0.71 ALDH1A1 (0.49) CHRM5ALDH1A1ALDH2ALDH3A1CASP3

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
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 — — US disclosed
EP-1272468-B1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2004-11-17 — — EP disclosed
US-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2004-03-25 — — US disclosed
US-6673790-B1 ANTAGONIST OF OXYTOCIN RECEPTORS USED IN COMBINATION WITH ANTAGONIST OF VASOPRESSIN V1A RECEPTORS FOR TREATMENT OF DYSMENORRHEA OR ENDOMETRIOSIS OR CONTROL OF PREMATURE LABOR AND FOR CONTROLLING PREPARATORY LABOR FOR CAESAREAN DELIVERY SANOFI-SYNTHELABO (FR) 2004-01-06 — — 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 (2 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-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them OXTR, AVPR2, AVPR1B CHRM5 385/4885ALDH1A1 4188/4885ALDH2 4362/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B CHRM5 339/4885ALDH1A1 4275/4885ALDH2 4370/4885

“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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