SCHEMBL408173

SCHEMBL408173

CCOC(=O)c1cn(-c2cc(F)cc(F)c2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
DGAT1 O75907 7/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM2 Q14416 1/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.41
GAA P10253 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
SCHEMBL443532 0.88 DGAT1 (0.52) NPC1LMNARAB9ADGAT1KDM4E
SCHEMBL408901 0.88 NPC1 (0.60) NPC1LMNARAB9ADGAT1KDM4E
SCHEMBL408172 0.84 NPSR1 (0.60) NPC1RAB9ADGAT1NPSR1MAPK1
SCHEMBL19795577 0.82 JUN (0.50) NPC1RAB9ADGAT1KDM4ENPSR1
SCHEMBL4300650 0.82 NPSR1 (0.59) NPC1LMNARAB9ADGAT1KDM4E
SCHEMBL24303811 0.81 CA12 (0.56) NPC1LMNARAB9ADGAT1KDM4E
SCHEMBL408365 0.81 DGAT1 (0.59) NPC1LMNARAB9ADGAT1KDM4E
SCHEMBL16691194 0.81 DGAT1 (0.55) NPC1LMNADGAT1KDM4ENPSR1
SCHEMBL4298281 0.81 DGAT1 (0.66) NPC1RAB9ADGAT1NPSR1MAPK1
SCHEMBL22324675 0.81 DGAT1 (0.55) NPC1LMNARAB9ADGAT1NPSR1

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 NPC1 142/4885LMNA 4016/4885RAB9A 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.