SCHEMBL890777

SCHEMBL890777

N#Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.62
KLK1 P06870 1/20 0.62
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
DEGS1 O15121 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 2/20 0.53
RXFP1 Q9HBX9 2/20 0.52

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
SCHEMBL890619 0.87 F10 (0.72) F10
SCHEMBL6711542 0.85 PKM (0.55) F10KLK1KMT2ATDP1NPC1
SCHEMBL890722 0.85 F10 (0.54) F10KLK1KMT2ATDP1DEGS1
SCHEMBL890820 0.85 F10 (0.64) F10
SCHEMBL12134200 0.83 F10 (0.61) F10KLK1KMT2ATDP1NPC1
SCHEMBL12132551 0.83 F10 (0.63) F10KLK1KMT2ATDP1NPC1
SCHEMBL890779 0.83 F10 (0.76) F10KLK1KMT2ATDP1NPC1
SCHEMBL890791 0.83 F10 (0.57) F10KMT2ATDP1DEGS1NPC1
SCHEMBL890704 0.81 RAB9A (0.53) F10KMT2ATDP1DEGS1NPC1
SCHEMBL10177762 0.81 F10 (0.61) F10KLK1KMT2ATDP1NPC1

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 34 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-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 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-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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885
US-20040097561-A1 For therapy of thrombosis F2, F12, TFPI F10 21/4885KLK1 900/4885KMT2A 2533/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885
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 14/4885KLK1 652/4885KMT2A 2318/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885
US-20030162690-A1 Bood anticoagulant F2, SERPINC1, HABP2 F10 18/4885KLK1 798/4885KMT2A 2798/4885

“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.