SCHEMBL13611460

SCHEMBL13611460

O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.62
EPHX2 P34913 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP2J2 P51589 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MAPK10 P53779 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 3/20 0.47

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
SCHEMBL4300137 0.82 TRPV1 (0.60) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4553345 0.80 DGAT1 (0.58) DGAT1EPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL4302935 0.79 DGAT1 (0.62) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4296706 0.78 DGAT1 (0.62) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL13624979 0.77 EPHX2 (0.66) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4251142 0.76 EPHX2 (0.67) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
Hydrochloric Acid SCHEMBL4253231 0.75 EPHX2 (0.66) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5947865 0.75 EPHX2 (1.00) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4294183 0.74 DGAT1 (0.61) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4295243 0.73 EPHX2 (0.61) 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 1912/4885SMN1; SMN2 2456/4885

“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.