SCHEMBL3832804

SCHEMBL3832804

Cc1ccc(-c2cnoc2NC(=O)c2cnccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
S1PR1 P21453 4/20 0.40
ADRB2 P07550 1/20 0.40
GPR183 P32249 1/20 0.40
APLNR P35414 1/20 0.40
S1PR5 Q9H228 1/20 0.40
DHODH Q02127 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
THRB P10828 1/20 0.40
PIM1 P11309 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3831198 0.90 NPC1 (0.47) NTRK1NPC1POLBCSNK1DCSNK1E
SCHEMBL3833669 0.89 NPC1 (0.58) NTRK1NPC1POLBCSNK1DCSNK1E
SCHEMBL3831176 0.89 NTRK1 (0.52) NTRK1NPC1POLBCSNK1DCSNK1E
SCHEMBL3827436 0.88 DGAT2 (0.47) NTRK1NPC1POLBCSNK1DCSNK1E
SCHEMBL3830604 0.88 NTRK1 (0.47) NTRK1NPC1POLBS1PR1ADRB2
SCHEMBL27618544 0.86 NPC1 (0.42) NTRK1NPC1POLBCSNK1DCSNK1E
SCHEMBL3829509 0.86 NPC1 (0.42) NTRK1NPC1POLBRAB9ADGAT2
SCHEMBL1203021 0.85 NPC1 (0.48) NTRK1NPC1POLBCSNK1DCSNK1E
SCHEMBL27637724 0.83 NPC1 (0.51) NTRK1NPC1POLBCSNK1DCSNK1E
SCHEMBL3830616 0.81 NPC1 (0.47) NTRK1NPC1POLBCSNK1DCSNK1E

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 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.