SCHEMBL77999

SCHEMBL77999

O=C1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.54
AKR1C3 P42330 3/20 0.53
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
CASP6 P55212 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIRT6 Q8N6T7 2/20 0.47
ADRB1 P08588 1/20 0.47
PARL Q9H300 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29929946 1.00 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL5166507 0.95 MAPT (0.57) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL85664 0.93 MAPT (0.60) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL11183530 0.89 MAPT (0.53) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL11142367 0.83 ALDH1A1 (0.74) RAB9AALDH1A1AKR1C3HPGDL3MBTL1
SCHEMBL5632220 0.81 MAPT (0.53) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL17206015 0.81 MAPT (0.43) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL3223479 0.81 KMT2A (0.61) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL30962697 0.81 SIRT6 (0.62) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14881010 0.80 MAPT (0.51) MEN1KMT2ARAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-115043768-A Method for synthesizing N-aryl pyrrolidine-2-ketone by acid-promoted ring opening of cyclopropyl 新乡市润宇新材料科技有限公司 2022-09-13 CN disclosed
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-18 US disclosed
US-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 US disclosed
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-8530505-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-10 US disclosed
US-8431592-B2 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2013-04-30 US disclosed
EP-1626969-A1 HETEROCYCLIC COMPOUNDS Bayer HealthCare AG (DE) 2006-02-22 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO disclosed
EP-1526132-A2 Substituted oxazolidinone derivatives and their use as factor xa inhibitors Bayer HealthCare AG (DE) 2005-04-27 EP disclosed
EP-1261606-B1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AG (DE) 2005-02-23 EP disclosed
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-12-02 US disclosed
WO-2004101557-A1 HETEROCYCLIC COMPOUNDS BAYER HEALTHCARE AG (DE) 2004-11-25 WO disclosed
EP-1200435-B1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2003-10-01 EP disclosed
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US disclosed
US-6589950-B1 Treatment of inflammatory or obstructive airways disease for respiratory system disorders NOVARTIS AG (CH) 2003-07-08 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 (5 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-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 MEN1 3125/4885KMT2A 4155/4885RAB9A 4800/4885
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B MEN1 2299/4885KMT2A 3886/4885RAB9A 3279/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB MEN1 759/4885KMT2A 4028/4885RAB9A 4453/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 MEN1 1175/4885KMT2A 4073/4885RAB9A 3561/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B MEN1 2299/4885KMT2A 3886/4885RAB9A 3279/4885

“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.