SCHEMBL4253540

SCHEMBL4253540

NNC(=O)C(=O)Nc1ccc(C2CCC(CC(=O)O)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.39
NPC1 O15118 1/20 0.39
HCAR3 P49019 3/20 0.38
SOAT2 O75908 1/20 0.36
FAAH O00519 1/20 0.36
CHRM2 P08172 1/20 0.36
SOAT1 P35610 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL4253536 1.00 DGAT1 (0.39) DGAT1NPC1HCAR3SOAT2FAAH
SCHEMBL1399591 0.89 ALDH1A1 (0.39) DGAT1NPC1
SCHEMBL12809357 0.89 ALDH1A1 (0.39) DGAT1NPC1
SCHEMBL1399620 0.81 NPC1 (0.37) DGAT1NPC1HCAR3
SCHEMBL1399622 0.81 NPC1 (0.37) DGAT1NPC1HCAR3
SCHEMBL1399743 0.79 ALDH1A1 (0.39) NPC1
SCHEMBL1399740 0.79 ALDH1A1 (0.39) NPC1
SCHEMBL1399762 0.78 DGAT1 (0.40) DGAT1NPC1
SCHEMBL1399760 0.78 DGAT1 (0.40) DGAT1NPC1
SCHEMBL1399612 0.77 MAPT (0.37) NPC1HCAR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 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-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 DGAT1 1/4885NPC1 615/4885HCAR3 1137/4885

“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.