SCHEMBL6080381

SCHEMBL6080381

O=C(O)c1cc(CO)c2cccc(CO)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALOX15 P16050 3/20 0.42
TSHR P16473 3/20 0.42
ACMSD Q8TDX5 1/20 0.42
KMT2A Q03164 2/20 0.40
CHRNE Q04844 1/20 0.39
P2RX3 P56373 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
GPR35 Q9HC97 2/20 0.38
MMP2 P08253 1/20 0.38
IGFBP3 P17936 1/20 0.38
IGFBP5 P24593 1/20 0.38
MEN1 O00255 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL27928660 0.81 ALOX15 (0.58) KDM4EALOX15KMT2AIGFBP3IGFBP5
SCHEMBL3264169 0.78 KDM4E (0.62) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6080167 0.76 KDM4E (0.48) KDM4ETSHRKMT2AIGFBP3IGFBP5
SCHEMBL6605390 0.75 FDPS (0.38) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6080368 0.74 KDM4E (0.46) KDM4EALOX15TSHRKMT2AMMP2
Hydrochloric Acid SCHEMBL6080849 0.74 FDPS (0.37) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6079288 0.73 KDM4E (0.51) KDM4EKMT2AP2RX3IGFBP3IGFBP5
SCHEMBL30744928 0.73 GRM2 (0.43) KDM4EALOX15P2RX3HCAR2IGFBP3
SCHEMBL6080099 0.72 KDM4E (0.47) KDM4ETSHRKMT2AIGFBP3IGFBP5
SCHEMBL6080124 0.72 PLAUR (0.45) KDM4ETDP1KMT2AP2RX3IGFBP3

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 1 patent. 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

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 KDM4E 1006/4885TDP1 2264/4885ALOX15 2210/4885

“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.