SCHEMBL3704147

SCHEMBL3704147

NC(=O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCC(c1ccccc1)c1ccccc1)C(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

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
CCR5 P51681 5/20 0.37
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL3698069 0.94 APAF1 (0.46) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3699046 0.93 APAF1 (0.43) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3710233 0.91 APAF1 (0.49) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3702580 0.90 APAF1 (0.43) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3707786 0.90 APAF1 (0.40) APAF1CASP3CASP9CYCS
SCHEMBL3696315 0.89 APAF1 (0.61) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3707010 0.88 APAF1 (0.60) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3701627 0.88 APAF1 (0.43) APAF1CASP3CASP9CYCSHDAC1
SCHEMBL3697514 0.88 APAF1 (0.64) APAF1CASP3CASP9CYCSCCR5
SCHEMBL3703654 0.88 APAF1 (0.56) APAF1CASP3CASP9CYCSCCR5

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 3 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
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

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.