SCHEMBL6080902

SCHEMBL6080902

COC(=O)c1cc(O)c2c(Cl)cc(Cl)c(OC)c2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 8/20 0.50
TPMT P51580 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PDE4D Q08499 2/20 0.36
LCK P06239 1/20 0.35
HPGD P15428 1/20 0.35
NOTUM Q6P988 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
SCHEMBL6593961 0.87 TPMT (0.48) NQO2TPMTALDH1A1KDM4EHPGD
SCHEMBL6078790 0.86 NQO2 (0.52) NQO2ALDH1A1KDM4EGAAPDE4D
SCHEMBL6079519 0.82 LMNA (0.54) NQO2ALDH1A1KDM4EGAAHPGD
SCHEMBL2905353 0.74 NQO2 (0.56) NQO2ALDH1A1KDM4E
SCHEMBL26235859 0.74 NQO2 (0.44) NQO2TPMTALDH1A1KDM4EGAA
SCHEMBL30563792 0.74 NQO2 (0.44) NQO2TPMTALDH1A1KDM4EGAA
SCHEMBL9379118 0.73 NQO2 (0.51) NQO2ALDH1A1KDM4EGAAHPGD
SCHEMBL8755932 0.73 LCK (0.47) NQO2ALDH1A1KDM4EGAALCK
SCHEMBL29128041 0.71 NQO2 (0.42) NQO2ALDH1A1KDM4EGAALCK
SCHEMBL9380176 0.70 NQO2 (0.48) NQO2KDM4ELCKNOTUM

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 2/4885TPMT 492/4885ALDH1A1 2726/4885

“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.