SCHEMBL6370201

SCHEMBL6370201

[O-][n+]1nc(NCCO)[n+]([O-])c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
KDM4E B2RXH2 6/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 4/20 0.38
MEN1 O00255 2/20 0.38
CASP6 P55212 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP14 P50281 1/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
GLA P06280 3/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14428357 0.81 CA12 (0.57) CA12CA1CA2CA9MEN1
SCHEMBL6426203 0.81 CA12 (0.40) CA12CA1CA2CA9POLB
SCHEMBL15009297 0.80 CA12 (0.52) CA12CA1CA2CA9POLB
SCHEMBL5452602 0.80 CA12 (0.53) CA12CA1CA2CA9KDM4E
SCHEMBL11785663 0.80 CA12 (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL5451586 0.79 CA12 (0.55) CA12CA1CA2CA9
Diethylamine SCHEMBL6365058 0.79 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL14428354 0.79 CA12 (0.52) CA12CA1CA2CA9MAPK1
SCHEMBL14428416 0.79 CA12 (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL5469423 0.79 CA12 (0.52) CA12CA1CA2CA9KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-5849738-A 1,2,4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents SRI INTERNATIONAL (US) 1998-12-15 US 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-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-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

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 CA12 2201/4885CA1 342/4885CA2 33/4885
US-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A CA12 2201/4885CA1 342/4885CA2 33/4885

“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.