SCHEMBL3699196

SCHEMBL3699196

O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1Cc1ccncc1)NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.41
CASP3 P42574 3/20 0.41
CASP9 P55211 3/20 0.41
CYCS P99999 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
P2RX7 Q99572 1/20 0.39
CNR1 P21554 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 2/20 0.37
F10 P00742 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3696992 0.92 APAF1 (0.45) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3695847 0.90 APAF1 (0.44) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL5956810 0.90 TAAR1 (0.48) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL16743092 0.89 APAF1 (0.43) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3703338 0.89 APAF1 (0.49) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3702024 0.88 APAF1 (0.41) APAF1CASP3CASP9CYCSMEN1
SCHEMBL3702272 0.88 CA1 (0.46) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3696391 0.87 KMT2A (0.46) APAF1CASP3CASP9CYCSMEN1
SCHEMBL9885462 0.87 APAF1 (0.42) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3709170 0.87 APAF1 (0.44) APAF1CASP3CASP9CYCSMEN1

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 4 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-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.