SCHEMBL3812554

SCHEMBL3812554

CCOC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCOC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.62
CASP3 P42574 6/20 0.62
CASP9 P55211 6/20 0.62
CYCS P99999 6/20 0.62
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.34
P2RX7 Q99572 2/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3696899 0.96 APAF1 (0.58) APAF1CASP3CASP9CYCSACHE
SCHEMBL3709358 0.94 APAF1 (0.56) APAF1CASP3CASP9CYCSACHE
SCHEMBL3705121 0.93 APAF1 (0.55) APAF1CASP3CASP9CYCSACHE
SCHEMBL3695654 0.92 APAF1 (0.56) APAF1CASP3CASP9CYCSACHE
SCHEMBL5956239 0.91 APAF1 (0.53) APAF1CASP3CASP9CYCSACHE
SCHEMBL3700996 0.91 APAF1 (0.56) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3702397 0.91 APAF1 (0.53) APAF1CASP3CASP9CYCSACHE
SCHEMBL3704029 0.91 APAF1 (0.54) APAF1CASP3CASP9CYCSACHE
SCHEMBL3692563 0.90 APAF1 (0.55) APAF1CASP3CASP9CYCSACHE
SCHEMBL3698073 0.90 APAF1 (0.51) APAF1CASP3CASP9CYCSACHE

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.