SCHEMBL3701929

SCHEMBL3701929

NCCCCC(NC(=O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCC(c1ccccc1)c1ccccc1)C(Cl)Cc1ccc(Cl)cc1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.43
CASP3 P42574 6/20 0.43
CASP9 P55211 6/20 0.43
CYCS P99999 6/20 0.43
SSTR5 P35346 1/20 0.39
FURIN P09958 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL3703370 0.91 SSTR5 (0.44) APAF1CASP3CASP9CYCSSSTR5
SCHEMBL3704147 0.86 APAF1 (0.52) APAF1CASP3CASP9CYCS
SCHEMBL3698069 0.85 APAF1 (0.46) APAF1CASP3CASP9CYCSOPRM1
SCHEMBL3702580 0.83 APAF1 (0.43) APAF1CASP3CASP9CYCS
SCHEMBL3699046 0.80 APAF1 (0.43) APAF1CASP3CASP9CYCS
SCHEMBL3710233 0.78 APAF1 (0.49) APAF1CASP3CASP9CYCS
SCHEMBL3701627 0.77 APAF1 (0.43) APAF1CASP3CASP9CYCS
SCHEMBL3701084 0.77 APAF1 (0.44) APAF1CASP3CASP9CYCSOPRM1
SCHEMBL3707786 0.77 APAF1 (0.40) APAF1CASP3CASP9CYCS
SCHEMBL3697514 0.77 APAF1 (0.64) APAF1CASP3CASP9CYCS

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 3 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
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

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.