SCHEMBL6680261

SCHEMBL6680261

O=[N+]([O-])c1ccc2nc(Cl)n[n+]([O-])c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
OPRK1 P41145 1/20 0.48
NPBWR1 P48145 6/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
HTT P42858 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
PDK1 Q15118 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL6365868 0.82 TDP1 (0.50) KMT2ANPBWR1ALDH1A1MAPTNPC1
SCHEMBL11314440 0.77 ALDH1A1 (0.40) KMT2ANPBWR1ALDH1A1MAPTNPC1
SCHEMBL11529496 0.77 ALDH1A1 (0.50) KMT2ANPBWR1ALDH1A1MAPTNPC1
SCHEMBL782083 0.77 ALDH1A1 (0.37) KMT2ANPBWR1ALDH1A1MAPTMEN1
SCHEMBL29864683 0.74 HTT (0.44) KMT2AALDH1A1HTTRAB9AMEN1
SCHEMBL780542 0.74 HTT (0.44) KMT2AALDH1A1HTTRAB9AMEN1
SCHEMBL9941194 0.74 MEN1 (0.38) KMT2AALDH1A1NPC1HTTMEN1
SCHEMBL29864601 0.74 HTT (0.44) KMT2AALDH1A1HTTRAB9AMEN1
SCHEMBL29864664 0.74 ALDH1A1 (0.41) KMT2AALDH1A1MAPTNPC1HTT
SCHEMBL11319321 0.72 NPBWR1 (0.42) KMT2ANPBWR1ALDH1A1MAPTNPC1

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 24 patents — showing the first 20. 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-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
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-6277835-B1 ADMINISTERING SYNERGISTIC DOSAGE OF A 1,2,4-BENZOTRIAZINE OXIDE COMPOUND CYTOLYTIC AGENT EFFECTIVE AGAINST HYPOXIC TUMOR CELLS AND AN ANTITUMOR AGENT EFFECTIVE AGAINST OXYGENATED TUMOR CELLS THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2001-08-21 US disclosed
US-6121263-A Method of tumor treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-09-19 US disclosed
EP-0649658-B1 Use of 1,2,4-benzotriazine oxides for the manufacture of a medicament for the treatment of tumors UNIV LELAND STANFORD JUNIOR (US) 2000-06-14 EP disclosed
US-5624925-A RADIOACTIVE MATERIALS FOR TUMOR DETECTION SRI INTERNATIONAL (US) 1997-04-29 US disclosed
US-5616584-A ADMINISTERING A SENSITIZER PRIOR ANTITUMOR RADIATION THERAPY SRI INTERNATIONAL (US) 1997-04-01 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
US-4289771-A BACTERICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 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 (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-20020103200-A1 1,2,4-Benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A KMT2A 1943/4885OPRK1 2529/4885NPBWR1 2913/4885
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 KMT2A 853/4885OPRK1 918/4885NPBWR1 1187/4885

“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.