SCHEMBL437759

SCHEMBL437759

O=C(NCCNC(=O)N1CCC(c2cccnc2)C1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.52
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP2J2 P51589 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL463496 0.87 DGAT1 (0.50) DGAT1ALDH1A1
SCHEMBL439654 0.85 DGAT1 (0.54) DGAT1CYP2C9EPHX2PRMT5WDR77
SCHEMBL439872 0.84 DGAT1 (0.56) DGAT1ALDH1A1
SCHEMBL443378 0.84 DGAT1 (0.54) DGAT1
SCHEMBL438158 0.84 DGAT1 (0.53) DGAT1
SCHEMBL440819 0.84 DGAT1 (0.56) DGAT1ALDH1A1
SCHEMBL463721 0.83 DGAT1 (0.53) DGAT1
SCHEMBL440581 0.82 DGAT1 (0.60) DGAT1ALDH1A1
SCHEMBL440360 0.82 DGAT1 (0.53) DGAT1
SCHEMBL443106 0.81 DGAT1 (0.57) DGAT1ALDH1A1

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885CYP2C9 2567/4885EPHX2 1660/4885

“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.