SCHEMBL3700752

SCHEMBL3700752

C#CCN1C(=O)CN(CCc2ccc(Cl)cc2Cl)C(=O)C1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.43
CASP3 P42574 3/20 0.43
CASP9 P55211 3/20 0.43
CYCS P99999 3/20 0.43
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
CA4 P22748 1/20 0.38
NPY5R Q15761 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL3704927 0.92 APAF1 (0.45) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3697638 0.90 APAF1 (0.44) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3694913 0.89 APAF1 (0.49) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL5956659 0.89 APAF1 (0.48) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3702024 0.88 APAF1 (0.41) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3702272 0.88 CA1 (0.46) APAF1CASP3CASP9CYCSCA1
SCHEMBL3696837 0.87 KMT2A (0.44) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3704424 0.86 APAF1 (0.48) APAF1CASP3CASP9CYCS
SCHEMBL3704035 0.85 CA1 (0.47) APAF1CASP3CASP9CYCSCA1
SCHEMBL3699463 0.85 APAF1 (0.50) APAF1CASP3CASP9CYCSSMN1; SMN2

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.