SCHEMBL3696901

SCHEMBL3696901

CCOC(=O)CN(CCc1ccc(Cl)cc1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCOC

nearest known ligand 0.38

Predicted protein targets (top 10)

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
GPBAR1 Q8TDU6 10/20 0.34
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3709359 0.97 APAF1 (0.36) APAF1CASP3CASP9CYCSGPBAR1
SCHEMBL3705123 0.96 GPBAR1 (0.37) APAF1CASP3CASP9CYCSGPBAR1
SCHEMBL3704033 0.94 APAF1 (0.36) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3702398 0.94 APAF1 (0.35) APAF1CASP3CASP9CYCSGPBAR1
SCHEMBL3695657 0.93 GLA (0.40) APAF1CASP3CASP9CYCSLMNA
SCHEMBL3698185 0.89 MAPT (0.36) APAF1CASP3CASP9CYCSGPBAR1
SCHEMBL3700997 0.88 APAF1 (0.38) APAF1CASP3CASP9CYCSLMNA
SCHEMBL3698076 0.88 GPBAR1 (0.39) GPBAR1USP2HTTTP53ALDH1A1
SCHEMBL3705051 0.87 APAF1 (0.36) APAF1CASP3CASP9CYCSUSP2
SCHEMBL3701736 0.87 PSEN1 (0.37) APAF1CASP3CASP9CYCSUSP2

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.