SCHEMBL5455141

SCHEMBL5455141

CCCc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 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
SCHEMBL5461338 0.87 CA12 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL28570198 0.86 KCNH2 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL8683462 0.81 CA12 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL5452741 0.81 CA12 (0.36) CA12CA1CA2CA9MEN1
SCHEMBL4700076 0.75 CA12 (0.37) CA12CA1CA2CA9MEN1
SCHEMBL15009297 0.75 CA12 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL14428389 0.73 SIGMAR1 (0.36) CA12CA1CA2CA9
SCHEMBL6365684 0.72 ATM (0.37) CA12CA1CA2CA9MEN1
Diethylamine SCHEMBL6365058 0.72 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL15008318 0.71 MEN1 (0.36) CA12CA1CA2CA9MEN1

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 44 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 claimed
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 claimed
US-6362184-B1 KILLING TUMOR CELLS SRI INTERNATIONAL 2002-03-26 US claimed
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 claimed
EP-0972517-A2 Use of 1,2,4-benzotriazine oxides for the preparation of a medicament for the treatment of tumours THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-01-19 EP claimed
EP-0413706-B1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS STANFORD RES INST INT (US) 1998-09-02 EP claimed
EP-0649658-A1 Method of tumor treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-04-26 EP claimed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 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-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 (7 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CA12 1360/4885CA1 1837/4885CA2 3064/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CA12 1360/4885CA1 1837/4885CA2 3064/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CA12 1360/4885CA1 1837/4885CA2 3064/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 CA12 1133/4885CA1 725/4885CA2 2980/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 CA12 4392/4885CA1 3124/4885CA2 4402/4885
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 CA12 1186/4885CA1 661/4885CA2 21/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CA12 1360/4885CA1 1837/4885CA2 3064/4885

“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.