SCHEMBL3697136

SCHEMBL3697136

CCOC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CC1C(=O)N(CCc2ccccc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
APAF1 O14727 3/20 0.39
CASP3 P42574 3/20 0.39
CASP9 P55211 3/20 0.39
CYCS P99999 3/20 0.39
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
AR P10275 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL3699396 0.97 APAF1 (0.38) ATMAPAF1CASP3CASP9CYCS
SCHEMBL3703933 0.94 MEN1 (0.40) ATMAPAF1CASP3CASP9CYCS
SCHEMBL3699253 0.93 APAF1 (0.35) ATMAPAF1CASP3CASP9CYCS
SCHEMBL3705377 0.92 APAF1 (0.35) ATMAPAF1CASP3CASP9CYCS
SCHEMBL3699199 0.90 APAF1 (0.47) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3807957 0.90 MEN1 (0.44) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL5956142 0.89 APAF1 (0.52) ATMAPAF1CASP3CASP9CYCS
SCHEMBL3710681 0.89 CA12 (0.41) APAF1CASP3CASP9CYCSCA12
SCHEMBL3695250 0.88 APAF1 (0.46) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3700760 0.88 APAF1 (0.40) APAF1CASP3CASP9CYCSALDH1A1

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 5 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
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP 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 ATM 1546/4885APAF1 1/4885CASP3 13/4885

“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.