SCHEMBL442691

SCHEMBL442691

CCOC(=O)c1cn(-c2ccccc2O)nc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.61
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 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
SCHEMBL407653 0.89 DGAT1 (0.49) DGAT1NPC1RAB9ATSHRMAPK1
SCHEMBL407225 0.88 DGAT1 (0.48) DGAT1TSHRMAPK1NPSR1KDM4E
SCHEMBL408707 0.87 PDE4B (0.50) DGAT1TSHRMAPK1NPSR1KDM4E
SCHEMBL407661 0.86 DGAT1 (0.47) DGAT1MAPK1NPSR1KDM4EGAA
SCHEMBL408172 0.84 NPSR1 (0.60) DGAT1NPC1RAB9AMAPK1NPSR1
SCHEMBL22493023 0.83 MAPT (0.45) DGAT1NPC1RAB9AMAPK1NPSR1
SCHEMBL408667 0.81 DGAT1 (0.43) DGAT1MAPK1NPSR1KDM4ECA12
SCHEMBL408203 0.81 DGAT1 (0.54) DGAT1KDM4ECA12CA9SMN1; SMN2
SCHEMBL20304409 0.80 TDP1 (0.46) DGAT1NPC1RAB9ATSHRMAPK1
SCHEMBL407666 0.80 DGAT1 (0.62) DGAT1NPC1RAB9ATSHRMAPK1

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 7 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-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
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 (2 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 3/4885NPC1 214/4885RAB9A 2100/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885NPC1 142/4885RAB9A 1525/4885

“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.