SCHEMBL6419012

SCHEMBL6419012

CCc1n[n+]([O-])c2ccc(N)cc2[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPT P10636 3/20 0.33
CASP1 P29466 3/20 0.33
BRCA1 P38398 3/20 0.33
HTT P42858 3/20 0.33
CASP7 P55210 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HIF1A Q16665 3/20 0.33
USP2 O75604 1/20 0.33
APEX1 P27695 1/20 0.33
HBB P68871 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TERT O14746 2/20 0.32
MITF O75030 2/20 0.32
NSD2 O96028 2/20 0.32
TP53 P04637 2/20 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
SCHEMBL6424657 0.78 ALDH1A1 (0.38) KDM4EMEN1LMNACYP3A4MAPT
SCHEMBL5461338 0.78 CA12 (0.40) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL2777534 0.71 HRH3 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL5455141 0.66 CA12 (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8787510 0.65 MEN1 (0.57) KDM4EMEN1LMNACYP3A4MAPT
SCHEMBL5109963 0.62 KMT2A (0.41) KDM4EMEN1LMNACYP3A4MAPT
SCHEMBL8784782 0.61 CRHBP (0.47) KDM4EMEN1LMNACYP3A4MAPT
SCHEMBL2777593 0.60 SMN1; SMN2 (0.40) KDM4EMEN1LMNAMAPTHTT
SCHEMBL1268245 0.60 MEN1 (0.33) KDM4EMEN1LMNACYP3A4MAPT
SCHEMBL5452741 0.59 CA12 (0.36) MEN1KMT2ATSHR

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 KDM4E 1443/4885MEN1 2855/4885LMNA 2911/4885
US-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A KDM4E 1443/4885MEN1 2855/4885LMNA 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.