SCHEMBL13611480

SCHEMBL13611480

O=C(NCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.65
EPHX2 P34913 5/20 0.56
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ADORA1 P30542 1/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTPN7 P35236 1/20 0.44
KLKB1 P03952 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4291779 0.85 DGAT1 (0.67) DGAT1EPHX2HDAC1HDAC2CYP2C9
SCHEMBL4294183 0.85 DGAT1 (0.61) DGAT1EPHX2HDAC1HDAC2CYP2C9
SCHEMBL4295259 0.85 DGAT1 (0.61) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4289342 0.82 TNFSF11 (0.61) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4300219 0.79 DGAT1 (0.76) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4298316 0.79 DGAT1 (1.00) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4300131 0.78 DGAT1 (0.81) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4302935 0.78 DGAT1 (0.62) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4305430 0.77 DGAT1 (0.79) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4297509 0.77 DGAT1 (0.79) 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 2 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 disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 DGAT1 3/4885EPHX2 1912/4885HDAC1 69/4885

“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.