SCHEMBL1748790

SCHEMBL1748790

COc1cc(CC(=O)Nc2ccc(N3CCC(NCC(C)=O)C3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
SIGMAR1 Q99720 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MCL1 Q07820 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MCHR1 Q99705 1/20 0.46

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
SCHEMBL1749465 0.87 RAB9A (0.55) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1748791 0.85 MCHR1 (0.57) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL1750755 0.81 MCHR1 (0.68) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1749502 0.81 NPC1 (0.55) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL1751085 0.80 NPC1 (0.53) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL1749074 0.78 NPC1 (0.50) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL1749126 0.77 MAPT (0.65) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL1749177 0.76 MAPT (0.49) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL1749023 0.76 MAPT (0.49) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL1749574 0.76 MCHR1 (0.47) MAPTKDM4EALDH1A1GAAMEN1

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-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885KDM4E 2896/4885ALDH1A1 374/4885

“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.