SCHEMBL3699396

SCHEMBL3699396

CCOC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CC1C(=O)N(CCc2cccs2)CC(=O)N1CCc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 19)

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
ATM Q13315 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3697136 0.97 ATM (0.41) APAF1CASP3CASP9CYCSATM
SCHEMBL3699253 0.96 APAF1 (0.35) APAF1CASP3CASP9CYCSATM
SCHEMBL3703933 0.95 MEN1 (0.40) APAF1CASP3CASP9CYCSATM
SCHEMBL3705377 0.93 APAF1 (0.35) APAF1CASP3CASP9CYCSATM
SCHEMBL5956142 0.92 APAF1 (0.52) APAF1CASP3CASP9CYCSATM
SCHEMBL3700760 0.90 APAF1 (0.40) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3699248 0.90 APAF1 (0.46) APAF1CASP3CASP9CYCSLMNA
SCHEMBL3695250 0.89 APAF1 (0.46) APAF1CASP3CASP9CYCSLMNA
SCHEMBL5955934 0.88 CA1 (0.41) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3707256 0.88 MEN1 (0.44) 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 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.