SCHEMBL3700997

SCHEMBL3700997

CCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
PIM1 P11309 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 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
SCHEMBL3705527 0.92 HTR2A (0.38) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3693162 0.92 MAPT (0.37) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3701029 0.89 TACR2 (0.45) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3696901 0.88 APAF1 (0.38) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL9103685 0.86 CDK4 (0.36) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3698794 0.86 SMN1; SMN2 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL3709359 0.85 APAF1 (0.36) APAF1CASP3CASP9CYCSLMNA
SCHEMBL3705123 0.85 GPBAR1 (0.37) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3693131 0.85 HTR2A (0.36) APAF1CASP3CASP9CYCSMAPT
SCHEMBL3704033 0.84 APAF1 (0.36) APAF1CASP3CASP9CYCSMAPT

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 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.