SCHEMBL5457433

SCHEMBL5457433

[O-][n+]1nc(O)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ATM Q13315 1/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 4/20 0.34
MEN1 O00255 3/20 0.34
CASP6 P55212 3/20 0.34
ALDH1A1 P00352 6/20 0.34
GAA P10253 3/20 0.34
MMP14 P50281 2/20 0.34
BLM P54132 2/20 0.34
MAPT P10636 5/20 0.33
NQO2 P16083 2/20 0.32
HPGD P15428 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

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
SCHEMBL11600917 0.84
SCHEMBL5112829 0.78 ESR2 (0.39) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL9941977 0.77 MEN1 (0.40) KEAP1NFE2L2KMT2APOLBMEN1
SCHEMBL30361763 0.76 PDPK1 (0.42) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL1651160 0.76 PDPK1 (0.42) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL6676223 0.76 CRHBP (0.40) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL29864580 0.76 TDP1 (0.38) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL5066814 0.76 TDP1 (0.38) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL31097097 0.76 NQO2 (0.33) MAPTNQO2ACHE
SCHEMBL5455267 0.74 KDM4E (0.38) KMT2APOLBMEN1ALDH1A1GAA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
US-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents LEE WILLIAM W (US) 2005-07-14 US disclosed
US-6828321-B2 Compounds specifically radiosensitize hypoxic tumor cells SRI INTERNATIONAL 2004-12-07 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-0972517-B1 Use of 1,2,4-benzotriazine oxides for the preparation of a medicament for the treatment of tumors UNIV LELAND STANFORD JUNIOR (US) 2004-07-07 EP disclosed
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 WO disclosed
US-20020103200-A1 1,2,4-Benzotriazine oxides as radiosensitizers and selective cytotoxic agents LEE WILLIAM W (US) 2002-08-01 US disclosed
US-6362184-B1 KILLING TUMOR CELLS SRI INTERNATIONAL 2002-03-26 US disclosed
US-5484612-A Method of treating a mammal having a solid tumor susceptible to treatment with cisplatin THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1996-01-16 US disclosed
EP-0649658-A1 Method of tumor treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-04-26 EP disclosed
US-5175287-A Lower alkyl nitrite under reductive deamination S R I INTERNATIONAL (US) 1992-12-29 US disclosed
EP-0478545-A4 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS STANFORD RES INST INT (US) 1992-08-05 EP disclosed
EP-0478545-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1992-04-08 EP disclosed
WO-1991004028-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1991-04-04 WO disclosed
EP-0413706-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1991-02-27 EP disclosed
WO-1989008647-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1989-09-21 WO disclosed
WO-1988002366-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1988-04-07 WO disclosed
US-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 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 (4 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-20020103200-A1 1,2,4-Benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A CRHBP 4760/4885CRHR2 4293/4885KEAP1 1023/4885
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 CRHBP 4360/4885CRHR2 3444/4885KEAP1 199/4885
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-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A CRHBP 4760/4885CRHR2 4293/4885KEAP1 1023/4885

“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.