SCHEMBL3700727

SCHEMBL3700727

O=C(O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.52
CASP3 P42574 6/20 0.52
CASP9 P55211 6/20 0.52
CYCS P99999 6/20 0.52
ACHE P22303 1/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
FADS1 O60427 1/20 0.40
P2RX7 Q99572 4/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3695085 0.90 APAF1 (0.50) APAF1CASP3CASP9CYCSACHE
SCHEMBL3697539 0.89 APAF1 (0.52) APAF1CASP3CASP9CYCSACHE
SCHEMBL3702680 0.88 APAF1 (0.47) APAF1CASP3CASP9CYCSACHE
SCHEMBL3701039 0.88 APAF1 (0.65) APAF1CASP3CASP9CYCSACHE
SCHEMBL3698517 0.85 APAF1 (0.57) APAF1CASP3CASP9CYCSACHE
SCHEMBL9885458 0.85 APAF1 (0.43) APAF1CASP3CASP9CYCSACHE
SCHEMBL3704826 0.84 APAF1 (0.72) APAF1CASP3CASP9CYCSACHE
SCHEMBL3702421 0.83 APAF1 (0.53) APAF1CASP3CASP9CYCSACHE
SCHEMBL5955389 0.83 APAF1 (0.54) APAF1CASP3CASP9CYCSACHE
SCHEMBL3705190 0.82 APAF1 (0.60) APAF1CASP3CASP9CYCSACHE

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.