SCHEMBL890810

SCHEMBL890810

COc1cc(C(=O)O)c([N+](=O)[O-])c(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 1.00
LMNA P02545 2/20 0.57
KDM4E B2RXH2 5/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
TPMT P51580 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.42
CDK2 P24941 1/20 0.42
MCL1 Q07820 1/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 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
SCHEMBL5962976 0.90 PKM (0.81) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL5966224 0.89 PKM (0.79) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL667424 0.88 PKM (0.78) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL2681693 0.88 PKM (0.78) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL7830300 0.86 PKM (0.75) PKMLMNAKDM4ESMN1; SMN2CTSV
SCHEMBL25416361 0.86 PKM (0.76) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL28497490 0.86 PKM (0.76) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL16689291 0.86 PKM (0.76) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL16689288 0.86 PKM (0.76) PKMLMNAKDM4EPOLBSMN1; SMN2
SCHEMBL30498916 0.86 PKM (0.75) PKMLMNAKDM4EPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444443-A Benzoyl-quinazolinone derivative, and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2023-07-18 CN 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-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-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US disclosed
CN-1391555-A Benzamides and related inhibitors of factor Xa COR THERAPEUTICS INC (US) 2003-01-15 CN 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
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP 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 (8 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 PKM 2261/4885LMNA 218/4885KDM4E 1933/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PKM 2261/4885LMNA 218/4885KDM4E 1933/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PKM 2261/4885LMNA 218/4885KDM4E 1933/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PKM 2261/4885LMNA 218/4885KDM4E 1933/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PKM 2261/4885LMNA 218/4885KDM4E 1933/4885
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 PKM 443/4885LMNA 187/4885KDM4E 1946/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 PKM 2261/4885LMNA 218/4885KDM4E 1933/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 PKM 4613/4885LMNA 2954/4885KDM4E 2052/4885

“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.