SCHEMBL3698229

SCHEMBL3698229

O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1cccs1)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.50
CASP3 P42574 3/20 0.50
CASP9 P55211 3/20 0.50
CYCS P99999 3/20 0.50
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.41
CCR4 P51679 1/20 0.41
HPGD P15428 1/20 0.41
P2RX7 Q99572 3/20 0.41
MC4R P32245 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 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
SCHEMBL3706918 0.99 APAF1 (0.49) APAF1CASP3CASP9CYCSMAPT
SCHEMBL5956277 0.95 APAF1 (0.48) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3700865 0.95 APAF1 (0.49) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3705638 0.95 APAF1 (0.51) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3693179 0.93 APAF1 (0.50) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3695992 0.93 APAF1 (0.46) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3700259 0.93 APAF1 (0.44) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3705962 0.92 APAF1 (0.47) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3699235 0.92 MAPT (0.47) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698130 0.92 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.