SCHEMBL6080692

SCHEMBL6080692

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.59
ABCC1 P33527 9/20 0.59
KCNMA1 Q12791 1/20 0.59
HCAR3 P49019 2/20 0.49
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL2645986 0.85 ABCB1 (0.66) ABCB1ABCC1KCNMA1HCAR3NPC1
SCHEMBL17457465 0.82 ABCB1 (0.69) ABCB1ABCC1KCNMA1HCAR3NPC1
SCHEMBL17457463 0.82 ABCB1 (0.69) ABCB1ABCC1KCNMA1HCAR3NPC1
SCHEMBL6081078 0.82 KDM4E (0.51) ABCB1ABCC1HCAR3NPC1MAPK1
SCHEMBL6080571 0.82 APP (0.59) KCNMA1HCAR3NPC1MAPK1RAB9A
SCHEMBL22439814 0.80 ABCB1 (0.68) ABCB1ABCC1KCNMA1NPC1MAPK1
SCHEMBL7981545 0.79 HCAR3 (0.58) ABCB1ABCC1KCNMA1HCAR3HTT
SCHEMBL6080678 0.78 PKM (0.59) NPC1MAPK1RAB9AALDH1A1HTT
SCHEMBL2282371 0.77 MAPT (0.68) ABCB1ABCC1KCNMA1NPC1RAB9A
SCHEMBL6587509 0.77 ABCC1 (0.59) ABCB1ABCC1KCNMA1HCAR3NPC1

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.