SCHEMBL5429853

SCHEMBL5429853

COc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ ALDH2 P05091 2/20 0.54
▸ CHRM5 P08912 4/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ PARK7 Q99497 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ UCHL3 P15374 1/20 0.45
▸ UCHL1 P09936 1/20 0.45

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
SCHEMBL5427833 0.93 ALDH3A1 (0.59) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL5427094 0.86 PARK7 (0.54) CHRM5CA12CA1CA2CA9
SCHEMBL5424603 0.84 TP53 (0.60) ALDH3A1ALDH1A1ALDH2CHRM5PARK7
SCHEMBL5429859 0.82 CHRM5 (0.54) ALDH3A1ALDH1A1ALDH2CHRM5PARK7
SCHEMBL14740713 0.78 CHRM5 (0.73) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL5432840 0.78 MAPT (0.54) ALDH1A1MAPT
SCHEMBL13486597 0.75 GSK3A (0.58) ALDH1A1CA2MAPT
SCHEMBL29406370 0.75 PARK7 (0.76) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL578232 0.75 PARK7 (0.76) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL9387548 0.74 RAB9A (0.60) —

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 6 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
EP-1272468-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS Sanofi-Aventis (FR) 2003-01-08 — — EP disclosed
WO-2001074775-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-10-11 — — 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 (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 ALDH3A1 3822/4885ALDH1A1 4188/4885ALDH2 4362/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B ALDH3A1 3758/4885ALDH1A1 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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