Misonidazole

Misonidazole

SCHEMBL2168353

COCC(O)Cn1ccnc1[N+](=O)[O-].O=[N+]([O-])c1ncc[nH]1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.38
TYMP P19971 3/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
Misonidazole SCHEMBL51943 0.91 KMT2A (0.66) KMT2ALMNATHRBCYP2C19HPGD
Misonidazole SCHEMBL18770100 0.80 KMT2A (0.54) KMT2ALMNATHRBCYP2C19HPGD
Misonidazole SCHEMBL14128122 0.79 KMT2A (0.48) KMT2ALMNATHRBCYP2C19HPGD
SCHEMBL12396375 0.78 KMT2A (0.78) KMT2ALMNATHRBCYP2C19HPGD
Misonidazole SCHEMBL2833961 0.78 KMT2A (0.51) KMT2ALMNATHRBCYP2C19HPGD
Misonidazole SCHEMBL9762481 0.78 KMT2A (0.51) KMT2ALMNATHRBCYP2C19HPGD
Mitindomide SCHEMBL16861169 0.77 KMT2A (0.51) KMT2ALMNATHRBCYP2C19HPGD
SCHEMBL9441423 0.77 KMT2A (0.62) KMT2ALMNATHRBCYP2C19HPGD
SCHEMBL6275185 0.77 KMT2A (0.55) KMT2ALMNATHRBCYP2C19HPGD
SCHEMBL16367290 0.76 KMT2A (0.60) KMT2ALMNATHRBCYP2C19HPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340837-A1 Combination treatment of cancer comprising EGFR/HER2 inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP claimed
US-20090306101-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US claimed
EP-1948180-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-07-30 EP claimed
WO-2007054551-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-18 WO claimed
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 US disclosed
EP-4028398-A1 DNA-PK INHIBITING COMPOUNDS Provincial Health Services Authority (CA) 2022-07-20 EP disclosed
WO-2021050059-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2021-03-18 WO disclosed
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-04-14 US disclosed
EP-2759538-B1 RADIOACTIVE FLUORINE LABELED COMPOUND NIHON MEDIPHYSICS CO LTD (JP) 2016-03-23 EP disclosed
US-9120810-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BOARD INSTITUTE, INC. (US) 2015-09-01 US disclosed
US-9107964-B2 Radioactive fluorine-labeled compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2015-08-18 US disclosed
EP-2691391-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGNASE RELATED DISEASES The Broad Institute, Inc. (US) 2014-02-05 EP disclosed
WO-2013042668-A1 RADIOACTIVE FLUORINE LABELED COMPOUND 日本メジフィジックス株式会社 (JP) 2013-03-28 WO disclosed
WO-2013032907-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER STEM CELLS THE BROAD INSTITUTE, INC. (US) 2013-03-07 WO disclosed
WO-2012173682-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGNASE RELATED DISEASES THE BROAD INSTITUTE, INC. (US) 2012-12-20 WO disclosed
WO-2005030137-A2 IMPROVING BIOMECHANICAL PERFORMANCE OF IRRADIATED BIOLOGICAL MATERIAL THE UNIVERSITY OF TOLEDO, A UNIVERSITY INSTRUMENTALITY OF THE STATE OF OHIO (US) 2005-04-07 WO disclosed
US-6855828-B1 Detection of hypoxia THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-02-15 US disclosed
US-20050026974-A1 Detection of hypoxia TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2005-02-03 US disclosed
US-6252087-B1 COMPLEXING WITH A PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-06-26 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 (4 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-20050026974-A1 Detection of hypoxia HIF1A, HIF1AN, HYOU1 KMT2A 877/4885LMNA 4407/4885THRB 3873/4885
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES IDH1, IDH2, IDH3A KMT2A 1147/4885LMNA 2361/4885THRB 2209/4885
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 KMT2A 1271/4885LMNA 1168/4885THRB 2916/4885
US-20090306101-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS EGFR, ERBB2, ERBB3 KMT2A 1114/4885LMNA 4846/4885THRB 999/4885

“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.