SCHEMBL6081153

SCHEMBL6081153

COC(=O)c1cc(O)c2cc(N)cc(OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.41
KDM4E B2RXH2 3/20 0.39
LCK P06239 1/20 0.38
GAA P10253 2/20 0.38
GPR35 Q9HC97 1/20 0.38
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.35
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35

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
SCHEMBL6588975 0.87 GPR35 (0.51) KDM4EGPR35EP300ALDH1A1
SCHEMBL6079518 0.86 NQO2 (0.45) NQO2KDM4ELCKGAAPOLB
SCHEMBL6080299 0.84 CNR2 (0.42) NQO2KDM4ELCKGAAGPR35
SCHEMBL6080169 0.83 MAPT (0.41) NQO2KDM4ELCKGAAGPR35
SCHEMBL6080304 0.83 LCK (0.38) NQO2KDM4ELCKGAAGPR35
SCHEMBL6080867 0.81 ALDH1A1 (0.43) NQO2KDM4ELCKGAAGPR35
SCHEMBL6080683 0.79 NPC1 (0.40) LCKGPR35ALDH1A1MAPK1
SCHEMBL6081303 0.79 DHODH (0.43) KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6080391 0.79 TYR (0.43) KDM4ELCKGAAPOLBEP300
SCHEMBL561666 0.79 PDE10A (0.47) KDM4ELCKGAAPOLBALDH1A1

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 NQO2 2/4885KDM4E 1006/4885LCK 1565/4885

“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.