SCHEMBL6424657

SCHEMBL6424657

Cc1n[n+]([O-])c2ccc(N)cc2[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 3/20 0.35
LMNA P02545 3/20 0.35
CYP3A4 P08684 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
BRCA1 P38398 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 3/20 0.31
CASP6 P55212 1/20 0.31
TSHR P16473 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL6419012 0.78 KDM4E (0.33) ALDH1A1CASP1LMNACYP3A4KDM4E
SCHEMBL12355607 0.74 CYP1A2 (0.30)
SCHEMBL8787510 0.69 MEN1 (0.57) ALDH1A1CASP1LMNACYP3A4KDM4E
SCHEMBL5109963 0.66 KMT2A (0.41) ALDH1A1CASP1LMNACYP3A4KDM4E
SCHEMBL8784782 0.64 CRHBP (0.47) ALDH1A1CASP1LMNACYP3A4KDM4E
SCHEMBL1268245 0.63 MEN1 (0.33) CASP1LMNACYP3A4KDM4EMEN1
SCHEMBL3279875 0.62 PRKCI (0.39) ALDH1A1CASP1LMNACYP3A4KDM4E
SCHEMBL8786075 0.61 CRHBP (0.55) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL11688864 0.60 CASP1 (0.41) ALDH1A1CASP1LMNACYP3A4KDM4E
SCHEMBL4429911 0.58 ALDH1A1 (0.39) ALDH1A1CASP1LMNACYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362184-B1 KILLING TUMOR CELLS SRI INTERNATIONAL 2002-03-26 US claimed
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
EP-0413706-B1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS STANFORD RES INST INT (US) 1998-09-02 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-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

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 ALDH1A1 444/4885CASP1 2130/4885LMNA 2911/4885
US-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A ALDH1A1 444/4885CASP1 2130/4885LMNA 2911/4885

“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.