SCHEMBL3699253

SCHEMBL3699253

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.35
CASP3 P42574 3/20 0.35
CASP9 P55211 3/20 0.35
CYCS P99999 3/20 0.35
KCNH2 Q12809 2/20 0.34
KCNJ1 P48048 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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 0.96 APAF1 (0.38) APAF1CASP3CASP9CYCSKCNH2
SCHEMBL3697136 0.93 ATM (0.41) APAF1CASP3CASP9CYCSKCNH2
SCHEMBL3703933 0.93 MEN1 (0.40) APAF1CASP3CASP9CYCSKCNH2
SCHEMBL3697619 0.90 MEN1 (0.43) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3706883 0.90 APAF1 (0.43) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3697184 0.89 CA1 (0.41) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3705377 0.89 APAF1 (0.35) APAF1CASP3CASP9CYCSLMNA
SCHEMBL3694614 0.88 TRPM8 (0.40) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL5956142 0.88 APAF1 (0.52) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3700442 0.87 APAF1 (0.40) APAF1CASP3CASP9CYCSKMT2A

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.