SCHEMBL1399522

SCHEMBL1399522

O=C(Nc1ccc(OC2CCC(C(=O)O)CC2)cc1[N+](=O)[O-])c1nnc(Nc2ccc(F)cc2)o1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.73
SOAT1 P35610 12/20 0.73
DGAT2 Q96PD7 1/20 0.44
ACAT1 P24752 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13747427 0.91 DGAT1 (0.59) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL14336182 0.91 DGAT1 (0.59) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL1399583 0.89 DGAT1 (0.81) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL1399582 0.89 DGAT1 (0.81) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL14342677 0.88 DGAT1 (0.81) DGAT1SOAT1DGAT2ACAT1
SCHEMBL2244897 0.88 DGAT1 (0.81) DGAT1SOAT1DGAT2ACAT1
SCHEMBL2249148 0.88 DGAT1 (0.81) DGAT1SOAT1DGAT2ACAT1
SCHEMBL2244904 0.88 DGAT1 (0.81) DGAT1SOAT1DGAT2ACAT1
SCHEMBL1399692 0.87 DGAT1 (0.77) DGAT1SOAT1DGAT2ACAT1
SCHEMBL3411044 0.85 DGAT1 (1.00) DGAT1SOAT1DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
EP-2035417-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO 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 1/4885SOAT1 5/4885DGAT2 3/4885

“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.