SCHEMBL6676223

SCHEMBL6676223

Cc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
MMP14 P50281 2/20 0.35
BLM P54132 2/20 0.35
CASP6 P55212 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
APAF1 O14727 1/20 0.35
PABPC1 P11940 1/20 0.35
NQO2 P16083 3/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
CYP1A2 P05177 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6676368 0.77 CRHBP (0.49) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6676030 0.77 PDE5A (0.41) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL29864580 0.76 TDP1 (0.38) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL5457433 0.76 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL1651160 0.76 PDPK1 (0.42) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL30361763 0.76 PDPK1 (0.42) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL5066814 0.76 TDP1 (0.38) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL8650175 0.76 NUDT1 (0.41) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6673749 0.76 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6909696 0.73 SORD (0.36) CRHBPCRHR2KEAP1NFE2L2MEN1

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 8 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 claimed
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 claimed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
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
EP-0478545-B1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS STANFORD RES INST INT (US) 1999-08-11 EP disclosed
EP-0413706-B1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS STANFORD RES INST INT (US) 1998-09-02 EP 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 (2 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 CRHBP 4700/4885CRHR2 3115/4885KEAP1 412/4885
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 CRHBP 3176/4885CRHR2 615/4885KEAP1 226/4885

“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.