SCHEMBL3700259

SCHEMBL3700259

COCCN1CC(=O)N(CCc2cccs2)C(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.44
CASP3 P42574 3/20 0.44
CASP9 P55211 3/20 0.44
CYCS P99999 3/20 0.44
MAPT P10636 5/20 0.43
P2RX7 Q99572 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
IL1B P01584 1/20 0.39
CCR4 P51679 1/20 0.39
HTT P42858 1/20 0.39
MC4R P32245 2/20 0.38
MC3R P41968 2/20 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
SCHEMBL3705962 0.95 APAF1 (0.47) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3706918 0.94 APAF1 (0.49) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698229 0.93 APAF1 (0.50) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3700865 0.89 APAF1 (0.49) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3697169 0.89 MAPT (0.47) MAPTP2RX7ALDH1A1MEN1KMT2A
SCHEMBL3699235 0.89 MAPT (0.47) APAF1CASP3CASP9CYCSMAPT
SCHEMBL5956277 0.89 APAF1 (0.48) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698197 0.89 HPGD (0.46) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3705638 0.88 APAF1 (0.51) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3705701 0.87 APAF1 (0.45) 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.