SCHEMBL408365

SCHEMBL408365

CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 1/20 0.48
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
LMNA P02545 2/20 0.47
CHEK1 O14757 1/20 0.47
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.47
POLB P06746 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL408901 0.89 NPC1 (0.60) DGAT1NPC1RAB9AKDM4EMAPK1
SCHEMBL6532213 0.89 DGAT1 (0.61) DGAT1NPC1RAB9AKDM4EKMT2A
SCHEMBL24303811 0.88 CA12 (0.56) DGAT1NPC1RAB9AKDM4EMAPK1
SCHEMBL408172 0.88 NPSR1 (0.60) DGAT1NPC1RAB9AMAPK1NPSR1
SCHEMBL22324675 0.87 DGAT1 (0.55) DGAT1NPC1RAB9AMAPK1NPSR1
SCHEMBL4298343 0.87 DGAT1 (0.67) DGAT1NPC1RAB9ACA12CA9
SCHEMBL4300650 0.86 NPSR1 (0.59) DGAT1NPC1RAB9AKDM4EMAPK1
SCHEMBL24303768 0.86 DGAT1 (0.47) DGAT1NPC1RAB9AKDM4EMAPK1
SCHEMBL6178854 0.85 DGAT1 (0.51) DGAT1NPC1RAB9AKDM4EMAPK1
SCHEMBL407229 0.84 DGAT1 (0.45) DGAT1NPC1RAB9AKDM4EMAPK1

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-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
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-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.