SCHEMBL3693162

SCHEMBL3693162

CCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
APAF1 O14727 3/20 0.37
CASP3 P42574 3/20 0.37
CASP9 P55211 3/20 0.37
CYCS P99999 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
PIM1 P11309 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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
SCHEMBL3693131 0.92 HTR2A (0.36) MAPTAPAF1CASP3CASP9CYCS
SCHEMBL3700997 0.92 APAF1 (0.38) MAPTSMN1; SMN2APAF1CASP3CASP9
SCHEMBL3694367 0.89 APAF1 (0.44) MAPTSMN1; SMN2RAB9AAPAF1CASP3
SCHEMBL3701029 0.87 TACR2 (0.45) MAPTSMN1; SMN2APAF1CASP3CASP9
SCHEMBL3700838 0.87 APAF1 (0.36) MAPTSMN1; SMN2APAF1CASP3CASP9
SCHEMBL3698185 0.86 MAPT (0.36) MAPTSMN1; SMN2APAF1CASP3CASP9
SCHEMBL9280399 0.86 MAPT (0.37) MAPTSMN1; SMN2RAB9ANPSR1CYP3A4
SCHEMBL3703380 0.85 SMN1; SMN2 (0.43) MAPTSMN1; SMN2RAB9AAPAF1CASP3
SCHEMBL3702485 0.85 CA12 (0.37) MAPTSMN1; SMN2APAF1CASP3CASP9
SCHEMBL3698794 0.85 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RAB9AKDM4EALDH1A1

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 MAPT 4448/4885SMN1; SMN2 2020/4885RAB9A 3904/4885

“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.