SCHEMBL890965

SCHEMBL890965

COc1ccc(NC(=O)/C=C\C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.76
MEN1 O00255 1/20 0.76
ALDH1A1 P00352 8/20 0.75
MAPT P10636 3/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
POLB P06746 1/20 0.75
MMP1 P03956 2/20 0.68
MMP2 P08253 2/20 0.68
MMP9 P14780 2/20 0.68
EGFR P00533 1/20 0.68
NMT1 P30419 1/20 0.67
LPAR2 Q9HBW0 2/20 0.66
LPAR3 Q9UBY5 2/20 0.66
TGM2 P21980 1/20 0.65
GAA P10253 2/20 0.64
THRB P10828 2/20 0.64
TDP2 O95551 1/20 0.64
LPAR1 Q92633 1/20 0.63
TP53 P04637 1/20 0.61

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
SCHEMBL13174794 1.00 KMT2A (0.76) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL890966 1.00 KMT2A (0.76) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL15709186 0.93 TGM2 (0.73) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL15709188 0.93 TGM2 (0.73) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL15724554 0.86 SMN1; SMN2 (0.80) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13113091 0.86 TGM2 (0.65) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL25216595 0.85 F3 (0.68) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11133691 0.85 LPAR2 (0.88) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL11137034 0.85 LPAR2 (0.88) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL15709144 0.85 TGM2 (0.63) KMT2AMEN1ALDH1A1MAPTSMN1; 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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746114-B2 Thermally sensitive protecting groups for cysteine for peptide cyclization and selective disulfide bond formation UNIVERSITY OF WINDSOR (CA) 2023-09-05 US disclosed
US-11560387-B2 Thermally sensitive protecting groups for cysteine, and manufacture and use thereof UNIVERSITY OF WINDSOR (CA) 2023-01-24 US disclosed
US-20220153749-A1 Thermally Sensitive Protecting Groups for Cysteine for Peptide Cyclization and Selective Disulfide Bond Formation UNIVERSITY OF WINDSOR (CA) 2022-05-19 US disclosed
US-20220024942-A1 Thermally Sensitive Protecting Groups for Cysteine, and Manufacture and Use Thereof UNIVERSITY OF WINDSOR 2022-01-27 US disclosed
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-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-6844367-B1 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-01-18 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-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-20220153749-A1 Thermally Sensitive Protecting Groups for Cysteine for Peptide Cyclization and Selective Disulfide Bond Formation PTMS, CTH, VIP KMT2A 3657/4885MEN1 358/4885ALDH1A1 351/4885
US-20040097561-A1 For therapy of thrombosis F2, F12, TFPI KMT2A 2533/4885MEN1 1683/4885ALDH1A1 1306/4885
US-20220024942-A1 Thermally Sensitive Protecting Groups for Cysteine, and Manufacture and Use Thereof CTH, TXN, CBS KMT2A 3335/4885MEN1 924/4885ALDH1A1 38/4885
US-11560387-B2 Thermally sensitive protecting groups for cysteine, and manufacture and use thereof CTH, TXN, CBS KMT2A 3335/4885MEN1 924/4885ALDH1A1 38/4885
US-11746114-B2 Thermally sensitive protecting groups for cysteine for peptide cyclization and selective disulfide bond formation PTMS, CTH, VIP KMT2A 3657/4885MEN1 358/4885ALDH1A1 351/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KMT2A 1317/4885MEN1 1523/4885ALDH1A1 2339/4885
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 2318/4885MEN1 990/4885ALDH1A1 755/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 KMT2A 1317/4885MEN1 1523/4885ALDH1A1 2339/4885
US-20030162690-A1 Bood anticoagulant F2, SERPINC1, HABP2 KMT2A 2798/4885MEN1 980/4885ALDH1A1 1625/4885

“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.