SCHEMBL1399583

SCHEMBL1399583

O=C(Nc1ccc(OC2CCC(C(=O)O)CC2)cc1[N+](=O)[O-])c1nnc(Nc2cc(F)c(F)cc2F)o1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.81
SOAT1 P35610 11/20 0.81
DGAT2 Q96PD7 1/20 0.41
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 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
SCHEMBL1399582 1.00 DGAT1 (0.81) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL12809187 0.91 DGAT1 (0.67) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL12809359 0.91 DGAT1 (0.67) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL14336237 0.91 DGAT1 (0.67) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL2247610 0.90 DGAT1 (1.00) DGAT1SOAT1DGAT2
SCHEMBL2246590 0.90 DGAT1 (1.00) DGAT1SOAT1DGAT2
SCHEMBL2246586 0.90 DGAT1 (1.00) DGAT1SOAT1DGAT2
SCHEMBL1399522 0.89 DGAT1 (0.73) DGAT1SOAT1DGAT2MAPTNPC1
SCHEMBL1399729 0.88 DGAT1 (0.88) DGAT1SOAT1DGAT2
SCHEMBL3540296 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 2 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

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.