SCHEMBL6676529

SCHEMBL6676529

O=C([O-])N(CCCNc1nc2ccccc2[n+]([O-])n1)CCCNc1nc2ccccc2[n+](O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
TRIM58 Q8NG06 2/20 0.33
ACHE P22303 3/20 0.32
BCHE P06276 2/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MMP14 P50281 1/20 0.31
BLM P54132 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 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
SCHEMBL6679514 0.89 TSHR (0.37) IDO1TRIM58ACHEBCHEHPGD
SCHEMBL5455041 0.86 ALDH1A1 (0.36) IDO1TRIM58ACHEBCHEHPGD
SCHEMBL6676526 0.85 IDO1 (0.41) IDO1ACHEBCHEHPGDKDM4E
SCHEMBL6679508 0.81 IDO1 (0.41) IDO1TRIM58ACHEBCHEHPGD
SCHEMBL5450928 0.79 SIRT5 (0.38) IDO1ACHEMEN1POLBMMP14
SCHEMBL6676039 0.78 RAD52 (0.48) IDO1HPGDKDM4EALDH1A1GLA
SCHEMBL6675510 0.78 RAD52 (0.51) TRIM58ALDH1A1POLBKMT2ASCN9A
SCHEMBL5455035 0.76 IDO1 (0.41) IDO1ACHEBCHEHPGDALDH1A1
SCHEMBL6365368 0.76 POLB (0.49) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL5450923 0.76 IDO1 (0.46) IDO1ACHEHPGDKDM4EALDH1A1

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 IDO1 759/4885TRIM58 1832/4885ACHE 2852/4885

“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.