SCHEMBL6675992

SCHEMBL6675992

CCc1nc2ccc(OCCOC)cc2[n+]([O-])n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
CBFB Q13951 2/20 0.35
NCF1 P14598 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MIF P14174 3/20 0.34
FBP1 P09467 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
BRAF P15056 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL5457953 0.83 APP (0.39) APPCRHBPCRHR2KEAP1NFE2L2
SCHEMBL5455329 0.83 MIF (0.39) APPCRHBPCRHR2KEAP1NFE2L2
SCHEMBL5452866 0.83 ALDH1A1 (0.41) APPCRHBPCRHR2KEAP1NFE2L2
SCHEMBL5461523 0.80 KDM4E (0.39) LMNAMAPK1HIF1AALDH1A1HSD17B10
SCHEMBL5452900 0.78 EGFR (0.37) LMNAMAPK1HIF1AALDH1A1
SCHEMBL14428433 0.77
SCHEMBL2777464 0.75 FGFR1 (0.40) KEAP1NFE2L2ALDH1A1
SCHEMBL6675614 0.74 CRHBP (0.41) CRHBPCRHR2KEAP1NFE2L2LMNA
SCHEMBL10611328 0.70 KMT2A (0.43) LMNAHIF1ACBFBALDH1A1HSD17B10
SCHEMBL10610430 0.70 ALDH1A1 (0.47) LMNAHIF1AALDH1A1HSD17B10

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
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 APP 4521/4885CRHBP 4700/4885CRHR2 3115/4885

“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.