SCHEMBL6080457

SCHEMBL6080457

O=C(O)c1cc(O)c2cc(Cc3ccccc3)cc(O)c2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
HNF4A P41235 1/20 0.44
IGFBP5 P24593 6/20 0.43
IGFBP3 P17936 2/20 0.43
IDH1 O75874 1/20 0.42
PTPN1 P18031 3/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
MPO P05164 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6079837 0.89 P2RX3 (0.42) HCAR2IGFBP5IGFBP3KDM4EKMT2A
SCHEMBL6080822 0.85 RNASEH1 (0.44) IDH1MPOKDM4EMAPT
SCHEMBL6080032 0.85 KDM4E (0.41) HCAR2IGFBP5IGFBP3KDM4E
SCHEMBL6594866 0.83 PTGER1 (0.44) HCAR2MAPTRAB9A
SCHEMBL21987014 0.81 HNF4A (0.53) HCAR2HNF4AIGFBP5IGFBP3IDH1
SCHEMBL6080363 0.78 HCAR2 (0.42) HCAR2IGFBP5IGFBP3PTPN1KDM4E
SCHEMBL6080080 0.78 MCL1 (0.46) HNF4APTPN1ACMSDKDM4EKMT2A
SCHEMBL6080526 0.77 IGFBP5 (0.37) IGFBP5IGFBP3KDM4EKMT2AMAPT
SCHEMBL6080777 0.77 P2RX3 (0.39) HCAR2IGFBP5IGFBP3KDM4EKMT2A
SCHEMBL6080530 0.76 IGFBP5 (0.36) IGFBP5IGFBP3KDM4EKMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL HCAR2 3606/4885HNF4A 1848/4885IGFBP5 4424/4885

“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.