SCHEMBL87231

SCHEMBL87231

O=C(NC[C@H]1CN(c2ccc(N3CCCC3=O)cc2)C(=O)O1)c1ccc(Br)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F2 P00734 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ABCB11 O95342 1/20 0.60
ST14 Q9Y5Y6 1/20 0.60

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
SCHEMBL78151 1.00 F10 (1.00) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL87025 0.97 F10 (1.00) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL14319890 0.89 F10 (0.80) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL87022 0.89 F10 (1.00) F10
SCHEMBL87235 0.88 F10 (1.00) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL78728 0.88 F10 (1.00) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL77424 0.88 F10 (1.00) F10F2ABCB11ST14
SCHEMBL78508 0.87 F10 (1.00) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL13333199 0.86 F10 (0.95) F10
SCHEMBL77471 0.85 F10 (0.94) F10F2ABCB11ST14

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 38 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-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-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-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 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-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-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-01-03 US disclosed
US-7576111-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER SCHERING PHARMA AG (DE) 2009-08-18 US disclosed
US-7576111-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER SCHERING PHARMA AG (DE) 2009-08-18 US disclosed
US-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders BAYER HEALTHCARE AG 2008-12-11 US disclosed
US-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders BAYER HEALTHCARE AG 2008-12-11 US disclosed
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2008-08-21 US 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
US-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-04-17 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
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

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-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885F2 1/4885CYP1A2 46/4885
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 F10 1174/4885F2 398/4885CYP1A2 181/4885
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885F2 1/4885CYP1A2 46/4885
US-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders OTC, SDHA, SDHB F10 258/4885F2 90/4885CYP1A2 123/4885
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885F2 1/4885CYP1A2 46/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885F2 1/4885CYP1A2 46/4885

“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.