SCHEMBL3775360

SCHEMBL3775360

NC(=O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1c[nH]c2ccccc12)C(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.40
CASP3 P42574 3/20 0.40
CASP9 P55211 3/20 0.40
CYCS P99999 3/20 0.40
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MIF P14174 1/20 0.36
TNF P01375 1/20 0.35
PIM1 P11309 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAPT P10636 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
RAB9A P51151 2/20 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
SCHEMBL3702676 0.94 DRD3 (0.37) APAF1CASP3CASP9CYCSDRD3
SCHEMBL3691829 0.91 HPGD (0.39) DRD3DRD2DRD4PIM1CYP3A4
SCHEMBL3696495 0.88 APAF1 (0.41) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3693009 0.86 DRD3 (0.42) DRD3DRD2DRD4TNFMAPT
SCHEMBL3701627 0.85 APAF1 (0.43) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698794 0.83 SMN1; SMN2 (0.42) DRD3DRD2DRD4TNFCYP3A4
SCHEMBL3704317 0.83 MAPT (0.40) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3699379 0.83 HTR2A (0.41) DRD3DRD2MAPTRAB9AKMT2A
SCHEMBL3704147 0.82 APAF1 (0.52) APAF1CASP3CASP9CYCSCYP3A4
SCHEMBL3703745 0.82 HTR2A (0.42) DRD3DRD2MAPTL3MBTL1KDM4E

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.