SCHEMBL3699042

SCHEMBL3699042

NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CC(c1ccccc1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.87
CASP3 P42574 6/20 0.87
CASP9 P55211 6/20 0.87
CYCS P99999 6/20 0.87
ACHE P22303 1/20 0.42
CCR5 P51681 1/20 0.37
EPHX1 P07099 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
ENPP2 Q13822 1/20 0.33
P2RX7 Q99572 2/20 0.33

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
SCHEMBL3704146 0.93 APAF1 (1.00) APAF1CASP3CASP9CYCSACHE
SCHEMBL3701840 0.89 APAF1 (0.93) APAF1CASP3CASP9CYCSACHE
SCHEMBL3707006 0.89 APAF1 (0.93) APAF1CASP3CASP9CYCSACHE
SCHEMBL3697511 0.89 APAF1 (0.91) APAF1CASP3CASP9CYCSACHE
SCHEMBL3696314 0.89 APAF1 (0.91) APAF1CASP3CASP9CYCSACHE
SCHEMBL3698065 0.88 APAF1 (0.90) APAF1CASP3CASP9CYCSACHE
SCHEMBL3703653 0.87 APAF1 (0.89) APAF1CASP3CASP9CYCSACHE
SCHEMBL3701623 0.87 APAF1 (0.78) APAF1CASP3CASP9CYCSACHE
SCHEMBL5955166 0.86 APAF1 (0.86) APAF1CASP3CASP9CYCSACHE
SCHEMBL3708139 0.86 APAF1 (0.85) 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.