SCHEMBL79246

SCHEMBL79246

Nc1ccc([N+]2([O-])CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 7/20 0.33
CYP3A4 P08684 3/20 0.33
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
MPO P05164 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR6 P50406 1/20 0.32
ALOX15 P16050 3/20 0.31
USP2 O75604 2/20 0.31
THRB P10828 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 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
SCHEMBL76934 0.98 MEN1 (0.36) MEN1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL11224081 0.75 LMNA (0.33) LMNAHTT
SCHEMBL874303 0.74
SCHEMBL3984911 0.74 KMT2A (0.36) MEN1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL1946653 0.74 KMT2A (0.38) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL13719990 0.74
SCHEMBL76560 0.73 LMNA (0.32) KMT2AALDH1A1LMNAHTT
SCHEMBL7074888 0.73 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1HSD17B10GAA
SCHEMBL3289331 0.71 CA1 (0.30) CA1CA2
Hydrochloric Acid SCHEMBL7459719 0.71 PABPC1 (0.32) KMT2AALDH1A1LMNAHTT

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 35 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
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
US-20100137274-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER SCHERING PHARMA AG (DE) 2010-06-03 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-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP 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
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 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 (10 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 3125/4885MAPT 4859/4885KMT2A 4155/4885
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B MEN1 2299/4885MAPT 4752/4885KMT2A 3886/4885
US-20100137274-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B MEN1 2299/4885MAPT 4752/4885KMT2A 3886/4885
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B MEN1 2299/4885MAPT 4752/4885KMT2A 3886/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB MEN1 759/4885MAPT 4709/4885KMT2A 4028/4885
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 MEN1 195/4885MAPT 4818/4885KMT2A 4193/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 MEN1 1175/4885MAPT 4763/4885KMT2A 4073/4885
US-20100160301-A1 MICROANGIOPATHY TREATMENT AND PREVENTION SERPINC1, TFPI, F11 MEN1 425/4885MAPT 3388/4885KMT2A 4623/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B MEN1 2299/4885MAPT 4752/4885KMT2A 3886/4885
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation F2, F11, F13B MEN1 2299/4885MAPT 4752/4885KMT2A 3886/4885

“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.