SCHEMBL3708137

SCHEMBL3708137

C#CCN1C(=O)CN(CCc2ccc(Cl)cc2Cl)C(=O)C1CC(=O)NCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.46
CASP3 P42574 3/20 0.46
CASP9 P55211 3/20 0.46
CYCS P99999 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CCR4 P51679 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 2/20 0.41
P2RX7 Q99572 4/20 0.40
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3693179 0.91 APAF1 (0.50) APAF1CASP3CASP9CYCSNPC1
SCHEMBL3708089 0.88 APAF1 (0.48) APAF1CASP3CASP9CYCSNPC1
SCHEMBL3710670 0.88 APAF1 (0.46) APAF1CASP3CASP9CYCSNPC1
SCHEMBL3701707 0.87 APAF1 (0.50) APAF1CASP3CASP9CYCSHDAC8
SCHEMBL3704424 0.86 APAF1 (0.48) APAF1CASP3CASP9CYCSP2RX7
SCHEMBL5956659 0.86 APAF1 (0.48) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3694997 0.85 APAF1 (0.51) APAF1CASP3CASP9CYCSNPC1
SCHEMBL3698229 0.84 APAF1 (0.50) APAF1CASP3CASP9CYCSNPC1
SCHEMBL3704046 0.84 APAF1 (0.48) APAF1CASP3CASP9CYCSP2RX7
SCHEMBL3694913 0.83 APAF1 (0.49) APAF1CASP3CASP9CYCSHDAC8

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.