SCHEMBL5255376

SCHEMBL5255376

N#Cc1c[c]cc2c1OCCO2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL943496 0.74 XDH (0.30)
SCHEMBL7128137 0.72 ITGB2 (0.44) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL910239 0.71 ADRA2A (0.34) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL11023512 0.71 MEN1 (0.36) KMT2AMEN1HPGDNPSR1ITGB2
SCHEMBL909942 0.71 ITGB2 (0.32) ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL14813340 0.71 ITGB2 (0.32) ITGB2ICAM1ITGAL
SCHEMBL12060296 0.69 KMT2A (0.33) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL9235864 0.69 NPC1 (0.44) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL18212318 0.67 ALDH1A1 (0.35) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL6358713 0.67 PLK1 (0.43) NPC1RAB9AKDM4EALDH1A1GAA

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
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US claimed
EP-1773831-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP claimed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO claimed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
EP-1773831-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO 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-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 NPC1 755/4885RAB9A 1361/4885KMT2A 4462/4885

“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.