SCHEMBL3832545

SCHEMBL3832545

O=C(Nc1oncc1CCc1ccccc1)c1cnccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ADRB2 P07550 2/20 0.39
SCD5 Q86SK9 1/20 0.38
KDM6B O15054 3/20 0.38
KDM4C Q9H3R0 3/20 0.38
KDM4D Q6B0I6 2/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 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
SCHEMBL3831259 0.91 NPC1 (0.42) POLBNPC1ALDH1A1ADRB2SCD5
SCHEMBL3832549 0.86 NPC1 (0.44) POLBNPC1ALDH1A1SCD5SGMS2
SCHEMBL1202926 0.85 NPC1 (0.46) POLBNPC1ALDH1A1SCD5SGMS2
SCHEMBL3830626 0.84 NPC1 (0.42) POLBNPC1ALDH1A1SCD5SGMS2
SCHEMBL3829469 0.83 NPC1 (0.45) POLBNPC1ALDH1A1SCD5SGMS2
SCHEMBL3831171 0.82 NPC1 (0.41) POLBNPC1ALDH1A1SCD5HTT
SCHEMBL3831176 0.81 NTRK1 (0.52) POLBNPC1ALDH1A1ADRB2SCD5
SCHEMBL3826432 0.81 NPC1 (0.46) POLBNPC1ALDH1A1ADRB2SCD5
SCHEMBL3830782 0.81 NPC1 (0.43) POLBNPC1ALDH1A1SCD5SGMS2
SCHEMBL27637724 0.81 NPC1 (0.51) POLBNPC1ALDH1A1SCD5SGMS2

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 POLB 3500/4885NPC1 673/4885ALDH1A1 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.