SCHEMBL3700913

SCHEMBL3700913

CCOC(=O)CN(CCc1ccc(OC)c(OC)c1)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.52
CASP3 P42574 6/20 0.52
CASP9 P55211 6/20 0.52
CYCS P99999 6/20 0.52
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR4 P51679 3/20 0.39
ALDH1A1 P00352 3/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5956313 0.93 APAF1 (0.54) APAF1CASP3CASP9CYCSTSHR
SCHEMBL5956320 0.93 APAF1 (0.51) APAF1CASP3CASP9CYCSTSHR
SCHEMBL3695332 0.92 APAF1 (0.58) APAF1CASP3CASP9CYCSCCR4
SCHEMBL3697423 0.91 APAF1 (0.52) APAF1CASP3CASP9CYCSCYP1A2
SCHEMBL3695654 0.89 APAF1 (0.56) APAF1CASP3CASP9CYCSCYP3A4
SCHEMBL3696383 0.89 APAF1 (0.51) APAF1CASP3CASP9CYCSCCR4
SCHEMBL3701947 0.89 APAF1 (0.49) APAF1CASP3CASP9CYCSHTT
SCHEMBL3708096 0.87 APAF1 (0.48) APAF1CASP3CASP9CYCSTSHR
SCHEMBL3705970 0.86 APAF1 (0.54) APAF1CASP3CASP9CYCSTSHR
SCHEMBL3705168 0.85 APAF1 (0.53) APAF1CASP3CASP9CYCSTSHR

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 6 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
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.