SCHEMBL6079934

SCHEMBL6079934

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK1 P28482 1/20 0.39
NQO2 P16083 2/20 0.38
APP P05067 1/20 0.38
COMT P21964 1/20 0.38
PIM3 Q86V86 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TTR P02766 1/20 0.36
CTSB P07858 1/20 0.36
LCK P06239 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL6080243 0.85 ABCB1 (0.38) MAPTMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL6592301 0.84 ALDH1A1 (0.44) MAPTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL6592306 0.84 ALDH1A1 (0.44) MAPTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL6079854 0.82 CTSB (0.41) MAPTMEN1ALDH1A1KMT2AAPP
SCHEMBL6079330 0.81 CRHBP (0.47) APP
SCHEMBL6079981 0.81 APP (0.49) MAPTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL2905571 0.80 NQO2 (0.42) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL6080021 0.79 NQO2 (0.49) MAPTALDH1A1NQO2LCKKDM4E
SCHEMBL6080427 0.76 LMNA (0.44) MAPTMEN1KMT2AAPP
SCHEMBL4971979 0.75 APP (0.50) MAPTPOLBMEN1ALDH1A1KMT2A

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 MAPT 1575/4885POLB 2489/4885MEN1 740/4885

“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.