SCHEMBL407666

SCHEMBL407666

CCOC(=O)c1cn(-c2ccccn2)nc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.62
HPGD P15428 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC11A2 P49281 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL18134648 0.90 DGAT1 (0.52) DGAT1HPGDNPC1RAB9ATP53
SCHEMBL4303943 0.85 KDM4E (0.49) DGAT1HPGDNPC1RAB9AALDH1A1
SCHEMBL18134668 0.84 NPC1 (0.49) DGAT1HPGDNPC1RAB9ATP53
SCHEMBL3835517 0.84 NPC1 (0.56) DGAT1HPGDNPC1RAB9ATP53
SCHEMBL408172 0.83 NPSR1 (0.60) DGAT1NPC1RAB9AALDH1A1MAPT
SCHEMBL12282767 0.82 HPGD (0.60) DGAT1HPGDNPC1RAB9ATP53
SCHEMBL407667 0.81 DGAT1 (0.55) DGAT1HPGDALDH1A1KDM4EKMT2A
SCHEMBL407653 0.81 DGAT1 (0.49) DGAT1NPC1RAB9AALDH1A1KDM4E
SCHEMBL21724028 0.81 NPC1 (0.53) DGAT1HPGDNPC1RAB9ATP53
SCHEMBL442691 0.80 DGAT1 (0.61) DGAT1NPC1RAB9AALDH1A1KDM4E

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 9 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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
EP-2197875-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-06-23 EP 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
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2009-03-19 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 (3 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 3/4885HPGD 1195/4885NPC1 214/4885
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT DGAT1 2/4885HPGD 838/4885NPC1 638/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885HPGD 1034/4885NPC1 142/4885

“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.