SCHEMBL3829509

SCHEMBL3829509

O=C(Nc1oncc1-c1ccc(OC(F)(F)F)cc1)c1cnccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
ABL1 P00519 12/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
NTRK1 P04629 1/20 0.40
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
POLQ O75417 1/20 0.38

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
SCHEMBL3827436 0.90 DGAT2 (0.47) NPC1POLBGSK3AGSK3BNTRK1
SCHEMBL3831198 0.87 NPC1 (0.47) NPC1RAB9APOLBGSK3AGSK3B
SCHEMBL3833669 0.86 NPC1 (0.58) NPC1POLBNTRK1DGAT2
SCHEMBL3832804 0.86 NTRK1 (0.44) NPC1RAB9APOLBNTRK1DGAT2
SCHEMBL3831176 0.86 NTRK1 (0.52) NPC1POLBGSK3AGSK3BNTRK1
SCHEMBL3830604 0.85 NTRK1 (0.47) NPC1POLBNTRK1DGAT2
SCHEMBL27618544 0.83 NPC1 (0.42) NPC1RAB9APOLBABL1NTRK1
SCHEMBL27637724 0.81 NPC1 (0.51) NPC1RAB9AL3MBTL1POLBGSK3A
SCHEMBL1201890 0.79 MAPT (0.50) NPC1RAB9AL3MBTL1POLBNTRK1
SCHEMBL1203559 0.79 NPC1 (0.55) NPC1RAB9APOLBNTRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460071-B1 N-HETEROARYLNICOTINAMIDE DERIVATIVES MITSUI CHEMICALS AGRO INC (JP) 2009-09-16 EP disclosed
US-7015236-B2 N-heteroarylnicotinamide derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2006-03-21 US disclosed
US-20050004368-A1 N-heteroarylnicotinamide derivatives SANKYO ARGO COMPANY LIMITED (JP) 2005-01-06 US disclosed
EP-1460071-A1 N-HETEROARYLNICOTINAMIDE DERIVATIVES Sankyo Agro Company, Limited (JP) 2004-09-22 EP 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-20050004368-A1 N-heteroarylnicotinamide derivatives CBR3, CBR1, NAT1 NPC1 673/4885RAB9A 2134/4885L3MBTL1 2175/4885

“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.