SCHEMBL4298316

SCHEMBL4298316

O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 1.00
EPHX2 P34913 2/20 0.59
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP2J2 P51589 1/20 0.52

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
SCHEMBL4298020 0.94 DGAT1 (0.88) DGAT1EPHX2
SCHEMBL4300242 0.94 DGAT1 (0.88) DGAT1EPHX2
SCHEMBL4291815 0.92 DGAT1 (0.85) DGAT1EPHX2
SCHEMBL4297984 0.92 DGAT1 (1.00) DGAT1
SCHEMBL4301695 0.91 DGAT1 (0.83) DGAT1EPHX2
SCHEMBL4294103 0.91 DGAT1 (0.84) DGAT1EPHX2
SCHEMBL4289602 0.90 DGAT1 (0.86) DGAT1EPHX2
SCHEMBL4300131 0.90 DGAT1 (0.81) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4299795 0.90 DGAT1 (0.81) DGAT1
SCHEMBL4289624 0.90 DGAT1 (0.81) DGAT1EPHX2CYP2C9CYP2C19CYP2J2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US claimed
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP claimed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO claimed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 DGAT1 3/4885EPHX2 1912/4885CYP2C9 2594/4885

“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.