SCHEMBL3701736

SCHEMBL3701736

CCOC(=O)CN(CCCn1ccnc1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCOC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
TBXAS1 P24557 5/20 0.35
ALDH1A1 P00352 1/20 0.32
USP2 O75604 1/20 0.32
APAF1 O14727 2/20 0.32
CASP3 P42574 2/20 0.32
CASP9 P55211 2/20 0.32
CYCS P99999 2/20 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
SCHEMBL3702465 0.90 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3713311 0.89 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3696901 0.87 APAF1 (0.38) ALDH1A1USP2APAF1CASP3CASP9
SCHEMBL9099915 0.86 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3693763 0.85 TBXAS1 (0.40) TBXAS1ALDH1A1USP2
SCHEMBL3709359 0.84 APAF1 (0.36) USP2APAF1CASP3CASP9CYCS
SCHEMBL3705123 0.84 GPBAR1 (0.37) ALDH1A1APAF1CASP3CASP9CYCS
SCHEMBL3695657 0.82 GLA (0.40) ALDH1A1APAF1CASP3CASP9CYCS
SCHEMBL3704033 0.82 APAF1 (0.36) ALDH1A1APAF1CASP3CASP9CYCS
SCHEMBL3702398 0.82 APAF1 (0.35) ALDH1A1USP2APAF1CASP3CASP9

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 PSEN1 742/4885PSEN2 1541/4885APH1B 661/4885

“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.