SCHEMBL6079518

SCHEMBL6079518

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.45
LCK P06239 1/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
FUT7 Q11130 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER4 P35408 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL6080256 0.88 NQO2 (0.45) NQO2LCKGAAKDM4EMAPT
SCHEMBL6081104 0.87 NQO2 (0.45) NQO2LCKGAAKDM4EMAPT
SCHEMBL6079733 0.86 NQO2 (0.43) NQO2LCKGAAKDM4EMAPT
SCHEMBL6080021 0.86 NQO2 (0.49) NQO2LCKGAAKDM4EMAPT
SCHEMBL6081153 0.86 NQO2 (0.41) NQO2LCKGAAKDM4EMAPT
SCHEMBL6080353 0.82 NQO2 (0.41) NQO2LCKGAAKDM4EMAPT
SCHEMBL6592548 0.81 IGFBP3 (0.40) GAAKDM4EMAPTALDH1A1TDP1
SCHEMBL6080426 0.81 NQO2 (0.43) NQO2GAAKDM4EMAPTALDH1A1
SCHEMBL6080401 0.81 NQO2 (0.47) NQO2LCKGAAKDM4EMAPT
Hydrochloric Acid SCHEMBL6079789 0.80 IGFBP3 (0.40) KDM4EMAPTALDH1A1PKMPOLB

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 2/4885LCK 1565/4885GAA 589/4885

“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.