SCHEMBL3702272

SCHEMBL3702272

NS(=O)(=O)c1ccc(CCNC(=O)CC2C(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)N2Cc2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
APAF1 O14727 3/20 0.43
CASP3 P42574 3/20 0.43
CASP9 P55211 3/20 0.43
CYCS P99999 3/20 0.43
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
POLB P06746 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL9885462 0.94 APAF1 (0.42) CA1CA2CA5ACA7CA5B
SCHEMBL3696992 0.92 APAF1 (0.45) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3695847 0.90 APAF1 (0.44) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL5956810 0.90 TAAR1 (0.48) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL16743092 0.89 APAF1 (0.43) APAF1CASP3CASP9CYCSF10
SCHEMBL3703338 0.89 APAF1 (0.49) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3699196 0.88 APAF1 (0.41) APAF1CASP3CASP9CYCSSMN1; SMN2
SCHEMBL3700752 0.88 APAF1 (0.43) CA1CA2APAF1CASP3CASP9
SCHEMBL3696391 0.87 KMT2A (0.46) APAF1CASP3CASP9CYCSF10
SCHEMBL3704035 0.87 CA1 (0.47) CA1CA2CA5ACA7CA5B

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 CA1 1810/4885CA2 2622/4885CA5A 520/4885

“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.