SCHEMBL3695657

SCHEMBL3695657

CCOC(=O)CN(CCc1ccc(OC)c(OC)c1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCOC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
LMNA P02545 7/20 0.39
TP53 P04637 2/20 0.39
APAF1 O14727 3/20 0.38
CASP3 P42574 3/20 0.38
CASP9 P55211 3/20 0.38
CYCS P99999 3/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
CXCR3 P49682 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3696901 0.93 APAF1 (0.38) LMNATP53APAF1CASP3CASP9
SCHEMBL3705123 0.91 GPBAR1 (0.37) LMNAAPAF1CASP3CASP9CYCS
SCHEMBL3705971 0.91 GLA (0.39) GLALMNATP53APAF1CASP3
SCHEMBL3709359 0.90 APAF1 (0.36) LMNATP53APAF1CASP3CASP9
SCHEMBL3700914 0.89 TSHR (0.41) GLALMNATP53APAF1CASP3
SCHEMBL3702398 0.87 APAF1 (0.35) LMNAAPAF1CASP3CASP9CYCS
SCHEMBL3704033 0.87 APAF1 (0.36) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3698185 0.84 MAPT (0.36) TP53APAF1CASP3CASP9CYCS
SCHEMBL3705527 0.84 HTR2A (0.38) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3695654 0.83 APAF1 (0.56) GLALMNATP53APAF1CASP3

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 2 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-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 GLA 3065/4885LMNA 521/4885TP53 336/4885

“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.