SCHEMBL3693007

SCHEMBL3693007

O=C(O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.53
CASP3 P42574 6/20 0.53
CASP9 P55211 6/20 0.53
CYCS P99999 6/20 0.53
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HDAC8 Q9BY41 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GOT1 P17174 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HAT1 O14929 1/20 0.42
EP300 Q09472 1/20 0.42
GPR18 Q14330 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL3706871 0.90 HDAC8 (0.50) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3702674 0.89 APAF1 (0.65) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698791 0.89 APAF1 (0.49) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3706880 0.87 APAF1 (0.46) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3775357 0.86 APAF1 (0.72) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3691826 0.84 APAF1 (0.60) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698517 0.83 APAF1 (0.57) APAF1CASP3CASP9CYCSHDAC8
SCHEMBL3698928 0.83 APAF1 (0.45) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698678 0.82 BCHE (0.46) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3700734 0.82 HDAC8 (0.46) 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.