SCHEMBL63217

SCHEMBL63217

O=[N+]([O-])c1cn([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PKM P14618 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4262657 0.74
SCHEMBL3282927 0.74
SCHEMBL28058653 0.74
SCHEMBL3636886 0.74
SCHEMBL27643362 0.74
SCHEMBL1849977 0.74
SCHEMBL174098 0.74
SCHEMBL15292025 0.74
SCHEMBL14696607 0.72 L3MBTL1 (0.53) L3MBTL1ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL22616127 0.71 L3MBTL1 (0.41) L3MBTL1ALDH1A1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118105738-A Preparation method of novel anionic demulsifier for cutting fluid wastewater treatment 苏州顿莱环保科技有限公司 2024-05-31 CN claimed
CN-117964435-A High-energy composite explosive and preparation method thereof 江西省第十一建设有限公司 2024-05-03 CN claimed
CN-116874585-B Synthesis method of insulin detention 杭州湃肽生化科技有限公司 2023-12-15 CN claimed
CN-110142025-B Ionic liquid, application thereof, modified activated carbon and preparation method thereof 河北科技大学 2022-02-15 CN claimed
CN-110550616-A Energy-containing eutectic solvent, application thereof, metal-doped carbon quantum dot prepared from energy-containing eutectic solvent and preparation method of metal-doped carbon quantum dot UNIV HEBEI SCIENCE & TECH 2019-12-10 CN claimed
EP-2323990-B1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF DYNAMIT NOBEL AG (DE) 2014-06-18 EP claimed
US-8558005-B2 Methods for the production of 2-halo-4-nitroimidazole and intermediates thereof DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2013-10-15 US claimed
US-8119679-B2 Method for preparation of 2,4-dinitroimidazole which is an intermediate for insensitive meltcastable molecular explosive AGENCY FOR DEFENSE DEVELOPMENT (KR) 2012-02-21 US claimed
JP-2012500183-A 2012-01-05 JP claimed
US-20110275830-A1 METHOD FOR PREPARATION OF 2,4-DINITROIMIDAZOLE WHICH IS AN INTERMEDIATE FOR INSENSITIVE MELTCASTABLE MOLECULAR EXPLOSIVE AGENCY FOR DEFENSE DEVELOPMENT (KR) 2011-11-10 US claimed
US-20110178308-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US claimed
EP-2323990-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) 2011-05-25 EP claimed
WO-2010143007-A1 METHOD FOR THE PRODUCTION OF 2-HALOGENO-4-NITROIMIDAZOLE DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2010-12-16 WO claimed
WO-2010021409-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF DYNAMIT NOBEL GMBH EXPLOSIVSTOFF - UND SYSTEMTECHNIK (DE) 2010-02-25 WO claimed
US-5387297-A 2,4-dinitroimidazole- a less sensitive explosive and propellant made by thermal rearrangement of molten 1,4 dinitroimidazole THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1995-02-07 US claimed
US-12545649-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2026-02-10 US disclosed
CN-119504601-A Abnormal-shape difunctional crosslinking agent and preparation method and application thereof 南昌大学 2025-02-25 CN disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
US-5387297-A 2,4-dinitroimidazole- a less sensitive explosive and propellant made by thermal rearrangement of molten 1,4 dinitroimidazole THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1995-02-07 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 (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-12545649-B2 WDR5-MYC inhibitors MYC, MYCBP, WDR1 L3MBTL1 517/4885ALDH1A1 4135/4885HTR2A 3874/4885
US-20110178308-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF IL4I1, NUDT1, NISCH L3MBTL1 3231/4885ALDH1A1 704/4885HTR2A 1953/4885

“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.