SCHEMBL407229

SCHEMBL407229

CCOC(=O)c1cn(-c2ccc(Cl)c(Br)c2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.45
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NOTUM Q6P988 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL408365 0.84 DGAT1 (0.59) DGAT1CA12CA9NPC1RAB9A
SCHEMBL24303811 0.84 CA12 (0.56) DGAT1CA12CA9NPC1RAB9A
SCHEMBL408677 0.83 NOTUM (0.42) DGAT1ALDH1A1NOTUM
SCHEMBL4486967 0.83 DGAT1 (0.52) DGAT1CA12CA9NPC1RAB9A
SCHEMBL408901 0.81 NPC1 (0.60) DGAT1CA12CA9NPC1RAB9A
SCHEMBL408172 0.79 NPSR1 (0.60) DGAT1CA12CA9NPC1RAB9A
SCHEMBL4298281 0.79 DGAT1 (0.66) DGAT1NPC1RAB9AALDH1A1NOTUM
SCHEMBL16691194 0.79 DGAT1 (0.55) DGAT1NPC1KDM4EALDH1A1LMNA
SCHEMBL443532 0.79 DGAT1 (0.52) DGAT1NPC1RAB9AKDM4EALDH1A1
SCHEMBL24419236 0.79 DGAT1 (0.41) DGAT1CA12CA9NPC1RAB9A

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 3 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

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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885CA12 4586/4885CA9 4061/4885

“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.