SCHEMBL6080754

SCHEMBL6080754

COC(=O)C(=CC(=O)O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TP53 P04637 1/20 0.48
RAB9A P51151 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 2/20 0.48
CYP3A4 P08684 1/20 0.48
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
KCNMA1 Q12791 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
PHGDH O43175 1/20 0.46

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
SCHEMBL6583771 0.86 MEN1 (0.62) KMT2AMEN1MAPTNPSR1RAB9A
SCHEMBL6583777 0.86 MEN1 (0.62) KMT2AMEN1MAPTNPSR1RAB9A
SCHEMBL6583773 0.86 MEN1 (0.62) KMT2AMEN1MAPTNPSR1RAB9A
SCHEMBL6080685 0.85 ABCB1 (0.59) MAPTRAB9ANPC1KCNMA1ALDH1A1
SCHEMBL6080688 0.85 ABCB1 (0.59) MAPTRAB9ANPC1KCNMA1ALDH1A1
SCHEMBL6080536 0.83 MAPT (0.51) KMT2AMAPTNPSR1RAB9ACYP2C19
SCHEMBL6079738 0.83 ALDH1A1 (0.62) KMT2AMEN1MAPTRAB9ACYP2C9
SCHEMBL6081120 0.83 NPSR1 (0.44) MAPTNPSR1RAB9ANPC1ALDH1A1
SCHEMBL6081125 0.83 NPSR1 (0.44) MAPTNPSR1RAB9ANPC1ALDH1A1
SCHEMBL6080567 0.82 APP (0.54) KMT2AMEN1MAPTRAB9ANPC1

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 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 KMT2A 1384/4885MEN1 740/4885MAPT 1575/4885

“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.