SCHEMBL3830604

SCHEMBL3830604

O=C(Nc1oncc1-c1cccnc1)c1cnccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.47
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
CFTR P13569 1/20 0.43
IDO1 P14902 4/20 0.42
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 1/20 0.41
S1PR1 P21453 6/20 0.41
S1PR3 Q99500 4/20 0.41
DGAT2 Q96PD7 1/20 0.41
ADRB2 P07550 1/20 0.41
GPR183 P32249 1/20 0.41
APLNR P35414 1/20 0.41
S1PR5 Q9H228 1/20 0.41
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39

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
SCHEMBL3831176 0.94 NTRK1 (0.52) NTRK1NPC1POLBTDO2ALDH1A1
SCHEMBL3831198 0.89 NPC1 (0.47) NTRK1NPC1POLB
SCHEMBL3833669 0.88 NPC1 (0.58) NTRK1NPC1POLBTDO2ALDH1A1
SCHEMBL3832804 0.88 NTRK1 (0.44) NTRK1NPC1POLBALDH1A1S1PR1
SCHEMBL27618544 0.85 NPC1 (0.42) NTRK1NPC1POLBALDH1A1S1PR1
SCHEMBL3827436 0.85 DGAT2 (0.47) NTRK1NPC1POLBALDH1A1S1PR1
SCHEMBL3829509 0.85 NPC1 (0.42) NTRK1NPC1POLBDGAT2
SCHEMBL27637724 0.84 NPC1 (0.51) NTRK1NPC1POLBALDH1A1DGAT2
SCHEMBL1203559 0.82 NPC1 (0.55) NTRK1NPC1POLBALDH1A1KDR
SCHEMBL1201954 0.81 NPC1 (0.48) NTRK1NPC1POLBALDH1A1DGAT2

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 6 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
CN-100425609-C N-Heteroaryl Nicotinamide Derivatives SANKYO AGRO CO LTD (JP) 2008-10-15 CN disclosed
US-7015236-B2 N-heteroarylnicotinamide derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2006-03-21 US disclosed
CN-1692111-A N-Heteroaryl Nicotinamide Derivatives SANKYO AGRO CO LTD (JP) 2005-11-02 CN 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 NTRK1 881/4885NPC1 673/4885POLB 3500/4885

“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.