SCHEMBL6676050

SCHEMBL6676050

C=CCc1nc2cc(C)ccc2[n+]([O-])n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
NQO2 P16083 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6673479 0.82 NQO2 (0.34) MAPTNQO2CYP1A2
SCHEMBL5451536 0.72 KDM4E (0.38) MAPTTP53NQO2CYP1A2
SCHEMBL5460331 0.72 ALDH1A1 (0.37) MAPTNQO2CYP1A2
SCHEMBL6674985 0.71 PDE5A (0.43) MAPTCYP1A2
SCHEMBL12355692 0.71
SCHEMBL6679132 0.70 KDM4E (0.48) MAPT
SCHEMBL2774178 0.69 KCNH2 (0.40)
SCHEMBL6676375 0.67 KCNH2 (0.42) TP53NQO2
SCHEMBL6677689 0.66 KCNH2 (0.35)
SCHEMBL6678907 0.64 ACHE (0.47)

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 MAPT 4097/4885TP53 188/4885NQO2 255/4885

“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.