SCHEMBL1305869

SCHEMBL1305869

O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@H]2OC[C@H](O)[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
F2 P00734 2/20 0.37
ELANE P08246 2/20 0.37
CTSG P08311 1/20 0.37
EPHX2 P34913 1/20 0.37
PARP1 P09874 3/20 0.35
OPRD1 P41143 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL1305870 1.00 KMT2A (0.39) KMT2AFABP5FABP7F2ELANE
SCHEMBL1480145 0.78 KMT2A (0.38) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL1480929 0.78 KMT2A (0.38) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL1480340 0.78 KMT2A (0.38) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL1480114 0.78 KMT2A (0.38) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL8214544 0.78 KMT2A (0.42) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL1481301 0.78 KMT2A (0.40) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL1480821 0.78 KMT2A (0.40) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL940142 0.78 KMT2A (0.40) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL940143 0.78 KMT2A (0.40) KMT2AFABP5FABP7EPHX2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045492-B2 Piperazine compounds AMURA THERAPEUTICS LIMITED (GB) 2015-06-02 US disclosed
US-9045492-B2 Piperazine compounds AMURA THERAPEUTICS LIMITED (GB) 2015-06-02 US disclosed
US-20130252969-A1 Compounds AMURA THERAPEUTICS LIMITED (GB) 2013-09-26 US disclosed
US-20130252969-A1 Compounds AMURA THERAPEUTICS LIMITED (GB) 2013-09-26 US disclosed
EP-2044075-B1 FURO [3, 2-B] PYRROL DERIVATIVES AMURA THERAPEUTICS LTD (GB) 2013-01-02 EP disclosed
EP-2046795-B1 FURO[3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-10-17 EP disclosed
EP-2081919-B1 TETRAHYDROFURO [3, 2-B]PYRR0L-3-0NE INTERMEDIATES AMURA THERAPEUTICS LTD (GB) 2012-05-23 EP disclosed
EP-2046798-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-16 EP disclosed
US-8053437-B2 Furo[3. 2-B] pyrrol derivatives AMURA THERAPEUTICS LIMITED (GB) 2011-11-08 US disclosed
US-8053437-B2 Furo[3. 2-B] pyrrol derivatives AMURA THERAPEUTICS LIMITED (GB) 2011-11-08 US disclosed
US-20090192170-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors AMURA THERAPEUTICS LIMITED (GB) 2009-07-30 US disclosed
US-20090186906-A1 N-((S)-4,4-dimethyl-1-oxo-1-((3aS,6aR)-3-oxo-dihydro-2H-furo[3,2-b]pyrrol-4(5H6H, 6aH)-yl)pentan-2-yl)-4-(4-methylpiperazin-1-yl)benzamide; treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, bone cancer AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US disclosed
US-20090186906-A1 N-((S)-4,4-dimethyl-1-oxo-1-((3aS,6aR)-3-oxo-dihydro-2H-furo[3,2-b]pyrrol-4(5H6H, 6aH)-yl)pentan-2-yl)-4-(4-methylpiperazin-1-yl)benzamide; treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, bone cancer AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US disclosed
US-20090186906-A1 N-((S)-4,4-dimethyl-1-oxo-1-((3aS,6aR)-3-oxo-dihydro-2H-furo[3,2-b]pyrrol-4(5H6H, 6aH)-yl)pentan-2-yl)-4-(4-methylpiperazin-1-yl)benzamide; treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, bone cancer AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US disclosed
US-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US disclosed
WO-2009087379-A2 TETRAHYDROFURO (3, 2 -B) PYRROL- 3 -ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LIMITED (GB) 2009-07-16 WO disclosed
WO-2008007132-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-0NE INTERMEDIATES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007109-A1 FURO[3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007103-A1 FURO [3, 2-B] PYRROL DERIVATIVES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007130-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 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 (4 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-20090186906-A1 N-((S)-4,4-dimethyl-1-oxo-1-((3aS,6aR)-3-oxo-dihydro-2H-furo[3,2-b]pyrrol-4(5H6H, 6aH)-yl)pentan-2-yl)-4-(4-methylpiperazin-1-yl)benzamide; treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, bone cancer COL2A1, COL1A1, PTMS KMT2A 538/4885FABP5 3268/4885FABP7 4263/4885
US-20090192170-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors COLGALT1, COL2A1, ABCB1 KMT2A 3221/4885FABP5 2967/4885FABP7 3415/4885
US-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases TMPRSS6, CCR6, MMP8 KMT2A 4223/4885FABP5 3806/4885FABP7 1843/4885
US-20130252969-A1 Compounds CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9 KMT2A 2798/4885FABP5 4314/4885FABP7 4474/4885

“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.