SCHEMBL890816

SCHEMBL890816

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.53
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
ALOX5AP P20292 6/20 0.46
FEN1 P39748 6/20 0.46
TRPV1 Q8NER1 3/20 0.46
KLK1 P06870 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL890690 0.78 ALOX5AP (0.54) ALOX5APFEN1GPR119
SCHEMBL890614 0.78 F10 (0.51) F10ALOX5APFEN1MEN1NPC1
SCHEMBL27874235 0.76 KDR (0.63) KDM4EATMMEN1NPC1RAB9A
SCHEMBL7266386 0.73 ALOX5AP (0.54) ALOX5APFEN1GPR119
SCHEMBL5544964 0.73 USP2 (0.48) F10ALOX5APFEN1KLK1NPC1
SCHEMBL890655 0.72 ALOX5AP (0.53) ALOX5APFEN1GPR119
SCHEMBL1968159 0.71 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL890817 0.71 GPR55 (0.55) KDM4ETRPV1MEN1RAB9AKMT2A
SCHEMBL6163597 0.71 GPR119 (0.53) ALOX5APFEN1GPR119CA1CA2
SCHEMBL890754 0.71 F10 (0.58) F10KLK1

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8518977-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-6835739-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-12-28 US disclosed
US-20040097561-A1 For therapy of thrombosis MILLENNIUM PHARMACEUTICALS, INC. 2004-05-20 US 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 (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-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KDM4E 1933/4885ATM 2015/4885
US-20040097561-A1 For therapy of thrombosis F2, F12, TFPI F10 21/4885KDM4E 2943/4885ATM 1527/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KDM4E 1933/4885ATM 2015/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KDM4E 1933/4885ATM 2015/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KDM4E 1933/4885ATM 2015/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KDM4E 1933/4885ATM 2015/4885
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 14/4885KDM4E 1946/4885ATM 975/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 F10 13/4885KDM4E 1933/4885ATM 2015/4885
US-20030162690-A1 Bood anticoagulant F2, SERPINC1, HABP2 F10 18/4885KDM4E 2375/4885ATM 2291/4885

“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.