SCHEMBL3699378

SCHEMBL3699378

COc1ccc2[nH]cc(CCN3C(=O)CN(CCc4ccc(Cl)cc4Cl)C(=O)C3CC(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.57
CASP3 P42574 6/20 0.57
CASP9 P55211 6/20 0.57
CYCS P99999 6/20 0.57
KMT2A Q03164 1/20 0.42
CCKBR P32239 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCRTR2 O43614 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3703743 0.94 APAF1 (0.55) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3706880 0.90 APAF1 (0.46) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3705525 0.89 APAF1 (0.52) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3702674 0.89 APAF1 (0.65) APAF1CASP3CASP9CYCSCCKBR
SCHEMBL3693127 0.87 APAF1 (0.50) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL9885473 0.87 APAF1 (0.51) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3703236 0.86 KMT2A (0.42) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3697588 0.86 APAF1 (0.48) APAF1CASP3CASP9CYCSHTR2A
SCHEMBL3691826 0.85 APAF1 (0.60) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL5955979 0.84 BCHE (0.49) KMT2AALDH1A1RAB9AKDM4ECYP1A2

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 7 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
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
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.