SCHEMBL6673522

SCHEMBL6673522

N#CCCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
IDO1 P14902 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
MMP14 P50281 1/20 0.33
BLM P54132 1/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
APP P05067 3/20 0.32

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
SCHEMBL6673718 0.92 IDO1 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6679187 0.87 IDO1 (0.37) MEN1KMT2AIDO1PIK3CDPIK3CA
SCHEMBL6365368 0.81 POLB (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6679140 0.79 IDO1 (0.38) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL6676039 0.78 RAD52 (0.48) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL6679158 0.77 KCNH3 (0.48) ALDH1A1KDM4EIDO1POLBKCNH3
SCHEMBL6678946 0.77 NCF1 (0.44) KMT2ARAB9APOLBGAA
SCHEMBL25208697 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14428355 0.76 NPY1R (0.44) IDO1ACHE
SCHEMBL14428353 0.76 KCNH3 (0.47) KDM4ELMNAIDO1SMN1; SMN2CASP6

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 ALDH1A1 609/4885KDM4E 1298/4885MEN1 2339/4885

“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.