SCHEMBL6080685

SCHEMBL6080685

COC(=O)C(=CC(=O)O)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.59
ABCC1 P33527 9/20 0.57
KCNMA1 Q12791 1/20 0.55
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL6080688 1.00 ABCB1 (0.59) ABCB1ABCC1KCNMA1NPC1RAB9A
SCHEMBL6587509 0.88 ABCC1 (0.59) ABCB1ABCC1KCNMA1NPC1RAB9A
SCHEMBL6080754 0.85 KMT2A (0.56) KCNMA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6079738 0.84 ALDH1A1 (0.62) KCNMA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6080567 0.83 APP (0.54) KCNMA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6081086 0.83 ABCB1 (0.52) ABCB1ABCC1NPC1RAB9ASMN1; SMN2
SCHEMBL6080575 0.83 APP (0.54) KCNMA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6080610 0.83 ABCB1 (0.52) ABCB1ABCC1NPC1RAB9ASMN1; SMN2
SCHEMBL22439814 0.81 ABCB1 (0.68) ABCB1ABCC1KCNMA1NPC1RAB9A
SCHEMBL6080675 0.81 PKM (0.56) NPC1RAB9ASMN1; SMN2MAPTMAPK1

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 ABCB1 405/4885ABCC1 346/4885KCNMA1 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.