SCHEMBL995958

SCHEMBL995958

CN(CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 3/20 0.77
EZH2 Q15910 1/20 0.72
DOT1L Q8TEK3 3/20 0.70
PRMT1 Q99873 8/20 0.70
CARM1 Q86X55 3/20 0.70
PRMT7 Q9NVM4 1/20 0.66
DNMT3B Q9UBC3 1/20 0.66
DPP4 P27487 1/20 0.65
MEN1 O00255 1/20 0.65
SLC28A1 O00337 1/20 0.65
MAP3K7 O43318 1/20 0.65
SLC28A2 O43868 1/20 0.65
GAPDH P04406 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
MAPK1 P28482 1/20 0.65
ADORA2A P29274 1/20 0.65
ADORA2B P29275 1/20 0.65
ADORA1 P30542 1/20 0.65
STAT6 P42226 1/20 0.65
PI4KA P42356 1/20 0.65

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
Water SCHEMBL10664708 0.99 AMD1 (0.76) AMD1EZH2DOT1LPRMT1CARM1
Sulfuric Acid SCHEMBL955704 0.95 AMD1 (0.81) AMD1EZH2DOT1LPRMT1CARM1
Sulfuric Acid SCHEMBL955710 0.95 AMD1 (0.81) AMD1EZH2DOT1LPRMT1CARM1
SCHEMBL954273 0.94 AMD1 (0.80) AMD1EZH2DOT1LPRMT1CARM1
SCHEMBL954272 0.94 AMD1 (0.80) AMD1EZH2DOT1LPRMT1CARM1
Water SCHEMBL10665695 0.93 AMD1 (0.79) AMD1EZH2DOT1LPRMT1CARM1
SCHEMBL19111327 0.90 AMD1 (0.80) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL13986400 0.90 AMD1 (0.80) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL15012484 0.89 AMD1 (0.73) AMD1EZH2DOT1LPRMT1DPP4
SCHEMBL952218 0.89 AMD1 (0.73) AMD1EZH2DOT1LPRMT1DPP4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
EP-3473247-A1 COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS Pathologica LLC (US) 2019-04-24 EP disclosed
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC 2018-12-20 US disclosed
EP-2453886-B1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2018-12-12 EP disclosed
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-9616035-B2 Pharmaceutical for oral delivery comprising MGBG and methods of treating disease PATHOLOGICA, LLC (US) 2017-04-11 US disclosed
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 US disclosed
CN-105163730-A Methods and compositions for treating demyelinating diseases PATHOLOGICA LLC 2015-12-16 CN disclosed
EP-2943189-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES Pathologica LLC (US) 2015-11-18 EP disclosed
CN-104997762-A Pharmaceutical for oral delivery comprising MGBG and methods of treating disease PATHOLOGICA LLC 2015-10-28 CN disclosed
WO-2014110154-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC (US) 2014-07-17 WO disclosed
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2014-02-20 US disclosed
US-8609734-B2 Methods of treating pain with MGBG Pathdogica, LLC (US) 2013-12-17 US disclosed
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2012-11-15 US disclosed
US-8258186-B2 Pharmaceutical for oral delivery comprising MGBG PATHOLOGICA, LLC (US) 2012-09-04 US disclosed
EP-2453886-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE Pathologica, LLC. (US) 2012-05-23 EP disclosed
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-05-12 US disclosed
WO-2011009039-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-01-20 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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS AMD1 6/4885EZH2 1253/4885DOT1L 2184/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS AMD1 6/4885EZH2 1253/4885DOT1L 2184/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 AMD1 269/4885EZH2 11/4885DOT1L 13/4885
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB AMD1 20/4885EZH2 3221/4885DOT1L 4266/4885
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB AMD1 20/4885EZH2 3221/4885DOT1L 4266/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB AMD1 20/4885EZH2 3221/4885DOT1L 4266/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG AMD1 940/4885EZH2 3355/4885DOT1L 4058/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG AMD1 940/4885EZH2 3355/4885DOT1L 4058/4885

“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.