SCHEMBL3694367

SCHEMBL3694367

CCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.44
CASP3 P42574 3/20 0.44
CASP9 P55211 3/20 0.44
CYCS P99999 3/20 0.44
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL3709609 0.95 APAF1 (0.41) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3703380 0.94 SMN1; SMN2 (0.43) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3700942 0.93 ALDH1A1 (0.39) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3693158 0.92 APAF1 (0.54) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3704434 0.92 APAF1 (0.41) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3702324 0.90 SMN1; SMN2 (0.41) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3695250 0.90 APAF1 (0.46) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3693162 0.89 MAPT (0.37) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3699199 0.89 APAF1 (0.47) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3699248 0.89 APAF1 (0.46) APAF1CASP3CASP9CYCSMAPT

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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
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
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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.