SCHEMBL890704

SCHEMBL890704

COc1cc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Br)cn2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
MITF O75030 1/20 0.52
F10 P00742 2/20 0.50
DEGS1 O15121 1/20 0.49
MAPT P10636 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RXFP1 Q9HBX9 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL10179154 0.88 F10 (0.50) RAB9ANPC1F10DEGS1MAPT
SCHEMBL890791 0.87 F10 (0.57) RAB9ANPC1MITFF10DEGS1
SCHEMBL890890 0.86 RAB9A (0.51) RAB9ANPC1MITFF10DEGS1
SCHEMBL890808 0.85 RAB9A (0.54) RAB9ANPC1MITFF10MAPT
SCHEMBL16362002 0.84 KDM4E (0.43) DEGS1MAPTKMT2AMEN1RXFP1
SCHEMBL10178447 0.83 F10 (0.61) F10
SCHEMBL890820 0.82 F10 (0.64) F10KDM4EALDH1A1HPGD
SCHEMBL890722 0.82 F10 (0.54) RAB9ANPC1F10DEGS1KMT2A
SCHEMBL890777 0.81 F10 (0.62) RAB9ANPC1F10DEGS1KMT2A
SCHEMBL10177896 0.78 F10 (0.64) RAB9ANPC1MITFF10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4744050-B2 Benzamides And Related Inhibitors Of Factor Xa 2011-08-10 JP claimed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP claimed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO claimed
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
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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-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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-20060020039-A1 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-26 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 RAB9A 2552/4885NPC1 2990/4885MITF 1418/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 RAB9A 2674/4885NPC1 2184/4885MITF 1179/4885
US-20040097561-A1 For therapy of thrombosis F2, F12, TFPI RAB9A 3004/4885NPC1 2691/4885MITF 3388/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 RAB9A 2674/4885NPC1 2184/4885MITF 1179/4885
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 RAB9A 3299/4885NPC1 2797/4885MITF 3602/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 RAB9A 2674/4885NPC1 2184/4885MITF 1179/4885
US-20030162690-A1 Bood anticoagulant F2, SERPINC1, HABP2 RAB9A 1551/4885NPC1 1829/4885MITF 2630/4885

“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.