SCHEMBL3833669

SCHEMBL3833669

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 1/20 0.45
ANO1 Q5XXA6 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
NTRK1 P04629 1/20 0.42
F10 P00742 2/20 0.38
KLRK1 P26718 4/20 0.38
MICA Q29983 4/20 0.38
RAET1L Q5VY80 4/20 0.38
MCHR1 Q99705 1/20 0.38
TDO2 P48775 1/20 0.37
MAPT P10636 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37

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
SCHEMBL3831198 0.90 NPC1 (0.47) NPC1POLBCSNK1DCSNK1ENTRK1
SCHEMBL3832804 0.89 NTRK1 (0.44) NPC1POLBALDH1A1CSNK1DCSNK1E
SCHEMBL3831176 0.89 NTRK1 (0.52) NPC1POLBALDH1A1CSNK1DCSNK1E
SCHEMBL3830604 0.88 NTRK1 (0.47) NPC1POLBALDH1A1NTRK1TDO2
SCHEMBL3829509 0.86 NPC1 (0.42) NPC1POLBNTRK1DGAT2
SCHEMBL27618544 0.86 NPC1 (0.42) NPC1POLBALDH1A1CSNK1DCSNK1E
SCHEMBL3827436 0.86 DGAT2 (0.47) NPC1POLBALDH1A1CSNK1DCSNK1E
SCHEMBL1203559 0.86 NPC1 (0.55) NPC1POLBALDH1A1CSNK1DCSNK1E
SCHEMBL27637724 0.83 NPC1 (0.51) NPC1POLBALDH1A1CSNK1DCSNK1E
SCHEMBL1201954 0.80 NPC1 (0.48) NPC1POLBALDH1A1CSNK1DCSNK1E

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 NPC1 673/4885POLB 3500/4885ALDH1A1 926/4885

“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.