SCHEMBL6080201

SCHEMBL6080201

COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
MMP2 P08253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
VCAM1 P19320 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALDH3A1 P30838 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL6590971 0.89 MMP2 (0.42) APPABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6590986 0.89 MMP2 (0.42) APPABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6177423 0.81 APP (0.37) APPMAPTKDM4ELMNAKMT2A
SCHEMBL6080241 0.78 HDAC3 (0.41) ALDH1A1LMNA
SCHEMBL6079981 0.78 APP (0.49) APPALDH1A1MAPK1AKR1C4AKR1C3
SCHEMBL28429400 0.77 APP (0.48) APPALDH1A1L3MBTL1MAPK1AKR1C4
SCHEMBL4971979 0.77 APP (0.50) APPALDH1A1L3MBTL1AKR1C4AKR1C3
SCHEMBL6080149 0.76 APP (0.48) APPMMP2ALDH1A1MAPK1AKR1C4
SCHEMBL6080458 0.76 APP (0.49) APPALDH1A1L3MBTL1MAPK1AKR1C4
SCHEMBL2484778 0.74 VCAM1 (0.57) ALDH1A1VCAM1SMN1; SMN2MAPTLMNA

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 442/4885ABCC9 428/4885ABCC8 352/4885

“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.