SCHEMBL3827436

SCHEMBL3827436

COc1ccc(-c2cnoc2NC(=O)c2cnccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.47
LMNA P02545 2/20 0.45
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
SLC22A12 Q96S37 2/20 0.43
NTRK1 P04629 1/20 0.42
ADRB2 P07550 1/20 0.42
S1PR1 P21453 1/20 0.42
GPR183 P32249 1/20 0.42
APLNR P35414 1/20 0.42
S1PR5 Q9H228 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
POLQ O75417 1/20 0.40
MAPT P10636 2/20 0.39
CSNK1D P48730 1/20 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
SCHEMBL3829509 0.90 NPC1 (0.42) DGAT2NTRK1NPC1POLBPOLQ
SCHEMBL3832804 0.88 NTRK1 (0.44) DGAT2LMNASLC22A12NTRK1ADRB2
SCHEMBL3831198 0.87 NPC1 (0.47) LMNASLC22A12NTRK1NPC1POLB
SCHEMBL3833669 0.86 NPC1 (0.58) DGAT2SLC22A12NTRK1S1PR1NPC1
SCHEMBL3831176 0.86 NTRK1 (0.52) DGAT2NTRK1ADRB2S1PR1GPR183
SCHEMBL3830604 0.85 NTRK1 (0.47) DGAT2NTRK1ADRB2S1PR1GPR183
SCHEMBL1201890 0.84 MAPT (0.50) DGAT2LMNANTRK1ADRB2S1PR1
SCHEMBL27618544 0.83 NPC1 (0.42) DGAT2LMNANTRK1ADRB2S1PR1
SCHEMBL27637724 0.81 NPC1 (0.51) DGAT2LMNANTRK1NPC1POLB
SCHEMBL1203021 0.80 NPC1 (0.48) DGAT2LMNANTRK1NPC1POLB

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 DGAT2 732/4885LMNA 878/4885STIM1 4790/4885

“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.