SCHEMBL3703745

SCHEMBL3703745

COC(=O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1c[nH]c2ccc(OC)cc12)C(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
SOS1 Q07889 1/20 0.37
DRD2 P14416 2/20 0.37
SNCA P37840 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 1/20 0.37
DRD3 P35462 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL3699379 0.94 HTR2A (0.41) HTR2AMAPTALDH1A1L3MBTL1TRPV1
SCHEMBL3691829 0.91 HPGD (0.39) MAPTALDH1A1DRD2DRD3
SCHEMBL3706882 0.87 HTR2A (0.46) HTR2AMAPTALDH1A1L3MBTL1TRPV1
SCHEMBL9101126 0.86 HTR2A (0.45) HTR2AMAPTALDH1A1L3MBTL1TRPV1
SCHEMBL3702676 0.83 DRD3 (0.37) MAPTALDH1A1DRD2KDM4EDRD3
SCHEMBL3696486 0.82 BCHE (0.48) HTR2AALDH1A1TRPV1ACHEBCHE
SCHEMBL3705527 0.82 HTR2A (0.38) HTR2AMAPTALDH1A1L3MBTL1TRPV1
SCHEMBL3775360 0.82 APAF1 (0.40) MAPTALDH1A1L3MBTL1DRD2KDM4E
SCHEMBL3693940 0.82 MAPT (0.34) MAPTKDM4E
SCHEMBL3693131 0.82 HTR2A (0.36) HTR2AMAPTALDH1A1L3MBTL1TRPV1

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 3 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
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP 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 HTR2A 3666/4885MAPT 4448/4885ALDH1A1 701/4885

“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.