SCHEMBL3699463

SCHEMBL3699463

C#CCN1C(=O)CN(CCc2ccc(Cl)cc2Cl)C(=O)C1CC(=O)NCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.50
CASP3 P42574 6/20 0.50
CASP9 P55211 6/20 0.50
CYCS P99999 6/20 0.50
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
P2RX7 Q99572 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIPG Q9Y5X9 2/20 0.39
CCR4 P51679 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
SCHEMBL3694913 0.95 APAF1 (0.49) APAF1CASP3CASP9CYCSTAAR1
SCHEMBL3701707 0.91 APAF1 (0.50) APAF1CASP3CASP9CYCSHPGD
SCHEMBL3704927 0.90 APAF1 (0.45) APAF1CASP3CASP9CYCSTAAR1
SCHEMBL5956659 0.90 APAF1 (0.48) APAF1CASP3CASP9CYCSHPGD
SCHEMBL3697638 0.88 APAF1 (0.44) APAF1CASP3CASP9CYCSTAAR1
SCHEMBL3707897 0.88 APAF1 (0.50) APAF1CASP3CASP9CYCSTAAR1
SCHEMBL3704424 0.87 APAF1 (0.48) APAF1CASP3CASP9CYCSP2RX7
SCHEMBL3699632 0.86 KMT2A (0.48) APAF1CASP3CASP9CYCSLMNA
SCHEMBL3699198 0.86 APAF1 (0.44) APAF1CASP3CASP9CYCSP2RX7
SCHEMBL3696837 0.85 KMT2A (0.44) APAF1CASP3CASP9CYCSALDH1A1

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.