SCHEMBL6080567

SCHEMBL6080567

COC(=O)C(=CC(=O)O)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
PKM P14618 2/20 0.54
KCNMA1 Q12791 3/20 0.49
TRPV1 Q8NER1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6080575 1.00 APP (0.54) APPPKMKCNMA1TRPV1SMN1; SMN2
SCHEMBL6588460 0.87 APP (0.59) APPPKMKCNMA1TRPV1SMN1; SMN2
SCHEMBL6588463 0.87 APP (0.59) APPPKMKCNMA1TRPV1SMN1; SMN2
SCHEMBL6588464 0.87 APP (0.59) APPPKMKCNMA1TRPV1SMN1; SMN2
SCHEMBL6079738 0.86 ALDH1A1 (0.62) KCNMA1SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL6080610 0.85 ABCB1 (0.52) PKMSMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6081086 0.85 ABCB1 (0.52) PKMSMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6080688 0.83 ABCB1 (0.59) KCNMA1SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6080685 0.83 ABCB1 (0.59) KCNMA1SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6080754 0.82 KMT2A (0.56) KCNMA1SMN1; SMN2ALDH1A1L3MBTL1MAPT

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 APP 442/4885PKM 1250/4885KCNMA1 790/4885

“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.