SCHEMBL890780

SCHEMBL890780

COC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
ERO1A Q96HE7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
F10 P00742 1/20 0.42
CD40 P25942 2/20 0.41
CD40LG P29965 2/20 0.41
KCNMA1 Q12791 1/20 0.41
GUSB P08236 1/20 0.41
MAPK10 P53779 1/20 0.40

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
SCHEMBL4796441 0.78 HTT (0.70) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL6626958 0.77 ALOX5AP (0.53) KMT2AMAPTMEN1HTTLMNA
SCHEMBL7690043 0.76 MAPT (0.53) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL6163597 0.76 GPR119 (0.53) ALDH1A1
SCHEMBL4828986 0.75 HTT (0.56) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL891004 0.75 MAPT (0.53) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL7128878 0.75 ALOX5AP (0.53)
SCHEMBL890614 0.75 F10 (0.51) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL890781 0.75 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL891059 0.74 F10 (0.54) KMT2AALDH1A1HPGDF10MAPK10

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 33 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 KMT2A 1317/4885MAPT 4514/4885MEN1 1523/4885
US-20040097561-A1 For therapy of thrombosis F2, F12, TFPI KMT2A 2533/4885MAPT 4519/4885MEN1 1683/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KMT2A 1317/4885MAPT 4514/4885MEN1 1523/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KMT2A 1317/4885MAPT 4514/4885MEN1 1523/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KMT2A 1317/4885MAPT 4514/4885MEN1 1523/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KMT2A 1317/4885MAPT 4514/4885MEN1 1523/4885
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 KMT2A 2318/4885MAPT 4613/4885MEN1 990/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 KMT2A 1317/4885MAPT 4514/4885MEN1 1523/4885
US-20030162690-A1 Bood anticoagulant F2, SERPINC1, HABP2 KMT2A 2798/4885MAPT 4272/4885MEN1 980/4885

“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.