SCHEMBL78723

SCHEMBL78723

O=C1CCCN1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 2/20 0.55
APEX1 P27695 1/20 0.55
CASP6 P55212 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CYP1A2 P05177 2/20 0.42

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
SCHEMBL16189968 0.96 ALDH1A1 (0.60) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL85597 0.94 ALDH1A1 (0.59) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL1937466 0.89 ALDH1A1 (0.51) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL24105032 0.83 TDP1 (0.55) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL30168136 0.83 TDP1 (0.55) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL85570 0.83 POLB (0.55) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL8325167 0.83 CASP6 (0.55) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL26981455 0.81 KMT2A (0.44) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL17979815 0.80 TDP1 (0.51) ALDH1A1KMT2APOLBAPEX1CASP6
SCHEMBL5652324 0.80 ALDH1A1 (0.67) ALDH1A1KMT2APOLBAPEX1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-01-03 US disclosed
CN-102796099-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG 2012-11-28 CN disclosed
EP-2270008-B1 8-heteroaryl-3-alkyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as PI-3 kinases inhibitors NOVARTIS AG (CH) 2012-10-03 EP disclosed
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2292617-B1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinase inhibitors NOVARTIS AG (CH) 2012-07-11 EP disclosed
EP-1888578-B9 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLINYL)-PHENYL]PROPIONITRILE AS LIPID KINASE INHIBITOR NOVARTIS AG (CH) 2012-04-25 EP disclosed
US-8129378-B2 Rivaroxaban and derivatives, synthesis; atherosclerosis; arthritis; Alzheimer's disease or cancer BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-1888578-A2 IMIDAZOQUINOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
US-7157456-B2 Anticoagulates for treating cardiovascular disorders, such as myocardial infarct, angina pectoris, restenoses after angioplasty, bypass, stroke; treatment of atherosclerosis, arthritis, Alzheimer's disease or cancer BAYER HEALTHCARE AG (DE) 2007-01-02 US disclosed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
WO-2006122806-A2 1,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2006-11-23 WO disclosed
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-16 US disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 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
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
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 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 (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-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885KMT2A 3886/4885POLB 1473/4885
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors PI4KA, PDPK1, PI4KB ALDH1A1 2839/4885KMT2A 788/4885POLB 2309/4885
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ ALDH1A1 2948/4885KMT2A 760/4885POLB 2837/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB ALDH1A1 237/4885KMT2A 4028/4885POLB 687/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 ALDH1A1 96/4885KMT2A 4073/4885POLB 1309/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885KMT2A 3886/4885POLB 1473/4885
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation F2, F11, F13B ALDH1A1 194/4885KMT2A 3886/4885POLB 1473/4885

“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.