SCHEMBL196342

SCHEMBL196342

CC1(COC(=O)c2ccc([N+](=O)[O-])cc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RASGRP3 Q8IV61 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
ALOX5 P09917 1/20 0.48
PRKCA P17252 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3899546 1.00 ATM (0.51) ATML3MBTL1RASGRP3MEN1KMT2A
SCHEMBL3903585 1.00 ATM (0.51) ATML3MBTL1RASGRP3MEN1KMT2A
SCHEMBL7182746 0.88 ESR1 (0.43) MEN1KMT2AMAPK1ALDH1A1PRKCA
SCHEMBL25440024 0.84 ADRB2 (0.51) ATML3MBTL1RASGRP3MEN1KMT2A
SCHEMBL27522136 0.82 MAPT (0.46) KMT2AMAPK1ALDH1A1MAPT
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.77 KCNJ1 (0.68) ATML3MBTL1MEN1KMT2AMAPK1
SCHEMBL813536 0.76 KMT2A (0.71) ATML3MBTL1MEN1KMT2AMAPK1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21644730 0.76 KCNJ1 (0.64) ATML3MBTL1MEN1KMT2AMAPK1
SCHEMBL10439554 0.76 ADRB2 (0.68) ATML3MBTL1MEN1KMT2AMAPK1
SCHEMBL7187426 0.75 ALDH1A1 (0.45) ATML3MBTL1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-2012500183-A 2012-01-05 JP 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-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
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO claimed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO claimed
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-11-27 US disclosed
US-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-12-05 US disclosed
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-B1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES INC (JP) 2024-09-18 EP disclosed
US-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
US-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-06-06 US disclosed
US-7253199-B2 Azole derivatives and pharmaceutical compositions containing them APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-07 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO disclosed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 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 (6 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-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ATM 839/4885L3MBTL1 2745/4885RASGRP3 309/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ATM 3644/4885L3MBTL1 1931/4885RASGRP3 2012/4885
US-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK ATM 839/4885L3MBTL1 2745/4885RASGRP3 309/4885
US-20110178308-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF IL4I1, NUDT1, NISCH ATM 3501/4885L3MBTL1 3231/4885RASGRP3 2701/4885
US-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ATM 839/4885L3MBTL1 2745/4885RASGRP3 309/4885
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ATM 839/4885L3MBTL1 2745/4885RASGRP3 309/4885

“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.