SCHEMBL77631

SCHEMBL77631

Nc1ccc([N+]2([O-])CCCCC2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRA2B P18089 1/20 0.31

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
SCHEMBL77293 0.98 ALDH1A1 (0.33) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL16323711 0.79
SCHEMBL15686702 0.75 LMNA (0.31) LMNA
SCHEMBL76934 0.69 MEN1 (0.36) ALDH1A1LMNAMAPTTDP1
SCHEMBL79246 0.66 MEN1 (0.38) ALDH1A1LMNAMAPTMAPK1TDP1
SCHEMBL6649783 0.62 ALDH1A1 (0.39) ALDH1A1LMNAMAPT
SCHEMBL7252455 0.62 MAPT (0.46) ALDH1A1LMNAMAPTGFERTDP1
SCHEMBL29393564 0.61
SCHEMBL9701 0.61
SCHEMBL16178893 0.61 KDM1A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP 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-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-01-03 US disclosed
US-8129378-B2 Rivaroxaban and derivatives, synthesis; atherosclerosis; arthritis; Alzheimer's disease or cancer BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-7767702-B2 Combinations of oxazolidinones such as rivaroxaban with a platelet aggregation inhibitor such as a clopidogrel for the prophylaxis and/or treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20100160301-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG 2010-06-24 US disclosed
WO-2008052671-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
US-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-04-17 US disclosed
WO-2007042146-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG (DE) 2007-04-19 WO disclosed
WO-2007039134-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS BAYER HEALTHCARE AG (DE) 2007-04-12 WO 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
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-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
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 (9 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-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885LMNA 1983/4885MAPT 4752/4885
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 ALDH1A1 153/4885LMNA 3421/4885MAPT 4859/4885
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885LMNA 1983/4885MAPT 4752/4885
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885LMNA 1983/4885MAPT 4752/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB ALDH1A1 237/4885LMNA 1141/4885MAPT 4709/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 ALDH1A1 96/4885LMNA 2018/4885MAPT 4763/4885
US-20100160301-A1 MICROANGIOPATHY TREATMENT AND PREVENTION SERPINC1, TFPI, F11 ALDH1A1 957/4885LMNA 424/4885MAPT 3388/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885LMNA 1983/4885MAPT 4752/4885
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation F2, F11, F13B ALDH1A1 194/4885LMNA 1983/4885MAPT 4752/4885

“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.