SCHEMBL3832541

SCHEMBL3832541

CC(c1ccccc1)c1cnoc1NC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
NTRK1 P04629 2/20 0.40
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
ADRB2 P07550 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
S1PR5 Q9H228 1/20 0.37
SCD5 Q86SK9 2/20 0.36
SCD O00767 1/20 0.36
RBP4 P02753 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3830616 0.87 NPC1 (0.47) NPC1POLBNTRK1ALDH1A1SCD5
SCHEMBL3831176 0.82 NTRK1 (0.52) NPC1POLBNTRK1ALDH1A1S1PR1
SCHEMBL27637724 0.81 NPC1 (0.51) NPC1POLBNTRK1ALDH1A1SCD5
SCHEMBL3829469 0.81 NPC1 (0.45) NPC1POLBNTRK1ALDH1A1SCD5
SCHEMBL1203021 0.81 NPC1 (0.48) NPC1POLBNTRK1ALDH1A1SCD5
SCHEMBL1203559 0.79 NPC1 (0.55) NPC1POLBNTRK1ALDH1A1SCD5
SCHEMBL1202926 0.79 NPC1 (0.46) NPC1POLBNTRK1ALDH1A1SCD5
SCHEMBL3832537 0.79 ALDH1A1 (0.45) NPC1POLBNTRK1ALDH1A1S1PR1
SCHEMBL3831259 0.79 NPC1 (0.42) NPC1POLBNTRK1ALDH1A1S1PR1
SCHEMBL1201954 0.78 NPC1 (0.48) NPC1POLBNTRK1ALDH1A1SCD5

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 673/4885POLB 3500/4885NTRK1 881/4885

“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.