SCHEMBL3708089

SCHEMBL3708089

C#CCNC(=O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.48
CASP3 P42574 3/20 0.48
CASP9 P55211 3/20 0.48
CYCS P99999 3/20 0.48
MAPT P10636 7/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX7 Q99572 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.38
CCR4 P51679 1/20 0.38
ACHE P22303 1/20 0.38
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36

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
SCHEMBL3693179 0.91 APAF1 (0.50) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698229 0.91 APAF1 (0.50) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3706918 0.90 APAF1 (0.49) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3700864 0.90 APAF1 (0.51) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3705962 0.88 APAF1 (0.47) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3708137 0.88 APAF1 (0.46) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3694997 0.88 APAF1 (0.51) APAF1CASP3CASP9CYCSMAPT
SCHEMBL5956277 0.88 APAF1 (0.48) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3693910 0.88 APAF1 (0.49) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3705638 0.87 APAF1 (0.51) APAF1CASP3CASP9CYCSMAPT

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.