SCHEMBL6080673

SCHEMBL6080673

COC(=O)c1cc(O)c2cc(CCCNC(=O)OC(C)(C)C)cc(O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
TDP1 Q9NUW8 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
BRD4 O60885 3/20 0.36
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 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
SCHEMBL6080014 0.91 CA1 (0.38) NQO2CA1CA2TDP1STK17B
SCHEMBL6590869 0.91 NQO2 (0.40) NQO2CA1CA2TDP1STK17B
SCHEMBL6590517 0.82 CA1 (0.38) NQO2CA1CA2TDP1STK17B
SCHEMBL6080532 0.82 NQO2 (0.42) NQO2CA1CA2TDP1STK17B
SCHEMBL6080865 0.81 CYP4A11 (0.43) NQO2
SCHEMBL6080040 0.80 NQO2 (0.47) NQO2CA1CA2BRD4CA12
SCHEMBL6080677 0.78 NQO2 (0.38) NQO2CA1CA2TDP1STK17B
SCHEMBL5200513 0.74 CA1 (0.47) NQO2CA1CA2TDP1CA12
SCHEMBL6080612 0.73 NQO2 (0.44) NQO2CA1CA2BRD4CA12
SCHEMBL6602769 0.72 NQO2 (0.43) NQO2CA1CA2TDP1STK17B

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 2/4885CA1 2702/4885CA2 1772/4885

“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.