SCHEMBL3695489

SCHEMBL3695489

O=C(O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1ccc(-c2ccccc2)cc1)C(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.38
CASP3 P42574 3/20 0.38
CASP9 P55211 3/20 0.38
CYCS P99999 3/20 0.38
ADAMTS5 Q9UNA0 3/20 0.33
MMP2 P08253 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
CNR1 P21554 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL3701627 0.94 APAF1 (0.43) APAF1CASP3CASP9CYCSADAMTS5
SCHEMBL3698518 0.88 ADAMTS5 (0.38) APAF1CASP3CASP9CYCSADAMTS5
SCHEMBL3707295 0.88 MAPT (0.42) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3698069 0.88 APAF1 (0.46) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3702676 0.85 DRD3 (0.37) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3701041 0.84 MAPT (0.35) APAF1CASP3CASP9CYCSPPARG
SCHEMBL3704147 0.82 APAF1 (0.52) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3700931 0.82 PPARG (0.36) APAF1CASP3CASP9CYCSPPARG
SCHEMBL3704317 0.81 MAPT (0.40) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3699046 0.81 APAF1 (0.43) APAF1CASP3CASP9CYCSITGB2

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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 APAF1 1/4885CASP3 13/4885CASP9 15/4885

“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.