SCHEMBL6080243

SCHEMBL6080243

COC(=O)c1cc(O)c2cc(Br)cc([N+](=O)[O-])c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
APP P05067 1/20 0.36
CTSB P07858 2/20 0.36
ERN1 O75460 1/20 0.36
PIM3 Q86V86 1/20 0.35
MAPT P10636 6/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 1/20 0.35
LCK P06239 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
VCAM1 P19320 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TPMT P51580 1/20 0.34
CTSH P09668 1/20 0.34

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
SCHEMBL6079934 0.85 MAPT (0.43) APPCTSBPIM3MAPTCYP1A2
SCHEMBL6592024 0.84 GPR35 (0.41) CTSBERN1MAPTL3MBTL1MEN1
SCHEMBL6592020 0.84 GPR35 (0.41) CTSBERN1MAPTL3MBTL1MEN1
SCHEMBL6080115 0.83 MAPT (0.40) MAPTGAACYP1A2RECQLLCK
SCHEMBL6079854 0.82 CTSB (0.41) APPCTSBPIM3MAPTLCK
SCHEMBL6079330 0.81 CRHBP (0.47) ABCB1ABCC1APPERN1
SCHEMBL6079981 0.81 APP (0.49) APPCTSBERN1MAPTCYP1A2
SCHEMBL6079733 0.79 NQO2 (0.43) MAPTGAACYP1A2RECQLLCK
SCHEMBL6080169 0.79 MAPT (0.41) APPERN1MAPTGAACYP1A2
SCHEMBL6079319 0.78 APP (0.45) APPMAPTMEN1KMT2AALDH1A1

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 2 patents. 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 claimed
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 346/4885APP 442/4885

“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.