SCHEMBL3700895

SCHEMBL3700895

COCCN1CC(=O)N(CCc2cccs2)C(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 9/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 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
SCHEMBL3707389 0.94 MAPT (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL9885457 0.93 KMT2A (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3707046 0.91 MAPT (0.46) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3705173 0.90 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3708113 0.89 HPGD (0.53) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3697169 0.89 MAPT (0.47) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3709934 0.89 MAPT (0.49) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3709447 0.88 CA1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3698041 0.87 KMT2A (0.47) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL3694411 0.86 KMT2A (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GAA

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 MEN1 3731/4885KMT2A 4192/4885ALDH1A1 701/4885

“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.