SCHEMBL254113

SCHEMBL254113

COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.72
KCNH2 Q12809 6/20 0.72
F2 P00734 1/20 0.72
KLKB1 P03952 2/20 0.56

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
Hydrochloric Acid SCHEMBL160886 0.99 F10 (0.71) F10KCNH2F2KLKB1
SCHEMBL6694260 0.90 KCNH2 (0.64) F10KCNH2F2KLKB1
SCHEMBL805112 0.89 RAB9A (0.58) F10KCNH2F2
SCHEMBL890632 0.89 F10 (0.71) F10KCNH2KLKB1
SCHEMBL890676 0.89 F10 (0.74) F10KCNH2KLKB1
SCHEMBL14366426 0.89 F10 (0.58) F10KCNH2F2
SCHEMBL890791 0.89 F10 (0.57) F10KCNH2F2
SCHEMBL10177863 0.89 F10 (0.57) F10KCNH2F2
SCHEMBL6694262 0.88 F10 (0.63) F10KCNH2F2KLKB1
SCHEMBL28126263 0.88 F10 (0.57) F10KCNH2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018229796-A2 A PROCESS FOR BETRIXABAN HYDROCHLORIDE AND BETRIXABAN MALEATE SALT MYLAN LABORATORIES LIMITED (IN) 2018-12-20 WO claimed
CN-105732490-A Preparation method of betrixaban 重庆医科大学 2016-07-06 CN claimed
JP-4744050-B2 Benzamides And Related Inhibitors Of Factor Xa 2011-08-10 JP claimed
US-20060020039-A1 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-26 US claimed
CN-107382897-B Intermediate of betrixaban and preparation method and application thereof 浙江宏元药业股份有限公司 2021-05-04 CN disclosed
US-20190046510-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2019-02-14 US disclosed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
CN-109180573-A A kind of preparation method of betrixaban intermediate 珠海润都制药股份有限公司 2019-01-11 CN disclosed
WO-2018229796-A2 A PROCESS FOR BETRIXABAN HYDROCHLORIDE AND BETRIXABAN MALEATE SALT MYLAN LABORATORIES LIMITED (IN) 2018-12-20 WO disclosed
CN-107868039-A A kind of shellfish Qu Shaban intermediate Ns(5- chloro-2-pyridyls)- 2-(4- cyanobenzoyls)Amino ] -5- methoxy benzamides preparation method 中国药科大学 2018-04-03 CN disclosed
WO-2018042320-A1 SALTS OF BETRIXABAN AND PROCESSES FOR PREPARATION THEREOF DR. REDDY’S LABORATORIES LIMITED (IN) 2018-03-08 WO disclosed
US-20030162690-A1 Bood anticoagulant COR THERAPEUTICS, INC. 2003-08-28 US disclosed
EP-1259485-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-11-27 EP disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
US-6376515-B2 DERIVATIVES OF A 2-((4-AMIDINYLPHENYL)-CARBONYLAMINO-1,2-PHENYLENE)-CARBONYLAMINO-) PYRIDINE; POTENT AND HIGHLY SELECTIVE ANTICOAGULANTS; BIOAVAILABILITY AND/OR SOLUBILITY; PREVENTION AND TREATMENT OF THROMBOSIS AND COAGULATION COR THERAPEUTICS, INC. 2002-04-23 US disclosed
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 US disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO 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-20060020039-A1 Benzamides and related inhibitors of factor Xa TFPI, F12, F11 F10 10/4885KCNH2 963/4885F2 13/4885
US-20190046510-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI F10 10/4885KCNH2 3549/4885F2 7/4885
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT F10 14/4885KCNH2 1087/4885F2 1/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 F10 13/4885KCNH2 1032/4885F2 5/4885
US-20030162690-A1 Bood anticoagulant F2, SERPINC1, HABP2 F10 18/4885KCNH2 593/4885F2 1/4885

“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.