SCHEMBL6079738

SCHEMBL6079738

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KCNMA1 Q12791 2/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 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
SCHEMBL6080536 0.90 MAPT (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6587315 0.88 ALDH1A1 (0.66) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL6587311 0.88 ALDH1A1 (0.66) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL6587318 0.88 ALDH1A1 (0.66) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL6080610 0.86 ABCB1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6080575 0.86 APP (0.54) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL6080567 0.86 APP (0.54) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL6081086 0.86 ABCB1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6080688 0.84 ABCB1 (0.59) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2
SCHEMBL6080685 0.84 ABCB1 (0.59) ALDH1A1KCNMA1NPC1RAB9ASMN1; SMN2

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 ALDH1A1 2726/4885KCNMA1 790/4885NPC1 1911/4885

“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.