SCHEMBL1770049

SCHEMBL1770049

CN(CCNN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 3/20 0.76
EZH2 Q15910 1/20 0.71
DOT1L Q8TEK3 5/20 0.69
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
MAPK1 P28482 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
ADORA1 P30542 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
SLC29A1 Q99808 1/20 0.64

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
SCHEMBL1770046 1.00 AMD1 (0.76) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL952218 0.94 AMD1 (0.73) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL952217 0.94 AMD1 (0.73) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL15012484 0.94 AMD1 (0.73) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL30469521 0.89 DOT1L (0.75) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL10664507 0.89 DOT1L (0.75) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL13986400 0.89 AMD1 (0.80) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL19111327 0.89 AMD1 (0.80) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL954272 0.89 AMD1 (0.80) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL954273 0.89 AMD1 (0.80) AMD1EZH2DOT1LDPP4MEN1

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 29 patents — showing the first 20. 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-20210085625-A1 CONTROLLED RELEASE ORAL PHARMACEUTICAL DOSAGE FORMS COMPRISING MGBG PATHOLOGICA LLC 2021-03-25 US disclosed
US-10881626-B2 Controlled release oral pharmaceutical dosage forms comprising MGBG PATHOLOGICA LLC (US) 2021-01-05 US disclosed
US-20190224144-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING PATHOLOGICA LLC 2019-07-25 US disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
US-10292950-B2 Method of treatment with anti-inflammatory and analgesic compounds which are GI-, renal-, and platelet-sparing PATHOLOGICA LLC (US) 2019-05-21 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-20180369170-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING PATHOLOGICA LLC 2018-12-27 US disclosed
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC 2018-12-20 US disclosed
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
US-8858991-B2 Delayed release oral pharmaceutical dosage forms comprising MGBG PATHOLOGICA LLC (US) 2014-10-14 US 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-20130317113-A1 REGULATION OF OSTEOPONTIN PATHOLOGICA LLC (US) 2013-11-28 US disclosed
US-8445540-B2 Decreasing the activity of osteopontin in a cell comprising contacting the cell with an agent which inhibits S-adenosyl methionine decarboxylase, inhibits polyamine biosynthesis, or increases adenosine; MGBG, MDL73811, CGP48664, Berenil, Pentamidine, SL47, and/or SL93; autoimmune diseases; antitumor; HIV PATHOLOGICA LLC (US) 2013-05-21 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-20120269891-A1 CONTROLLED RELEASE ORAL PHARMACEUTICAL DOSAGE FORMS COMPRISING MGBG PATHOLOGICA LLC (US) 2012-10-25 US disclosed
US-8258186-B2 Pharmaceutical for oral delivery comprising MGBG PATHOLOGICA, LLC (US) 2012-09-04 US disclosed
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-05-12 US disclosed
US-20080262092-A1 REGULATION OF OSTEOPONTIN PATHOLOGICA LLC. (US) 2008-10-23 US 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 (14 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-20080262092-A1 REGULATION OF OSTEOPONTIN ALPP, CD68, ACP3 AMD1 2332/4885EZH2 3180/4885DOT1L 4098/4885
US-20210085625-A1 CONTROLLED RELEASE ORAL PHARMACEUTICAL DOSAGE FORMS COMPRISING MGBG SHBG, UGGT1, GCG AMD1 3196/4885EZH2 4875/4885DOT1L 4883/4885
US-20130317113-A1 REGULATION OF OSTEOPONTIN ALPP, CD68, ACP3 AMD1 2332/4885EZH2 3180/4885DOT1L 4098/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS AMD1 6/4885EZH2 1253/4885DOT1L 2184/4885
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-10881626-B2 Controlled release oral pharmaceutical dosage forms comprising MGBG SHBG, UGGT1, GCG AMD1 3196/4885EZH2 4875/4885DOT1L 4883/4885
US-20120269891-A1 CONTROLLED RELEASE ORAL PHARMACEUTICAL DOSAGE FORMS COMPRISING MGBG SHBG, UGGT1, GCG AMD1 3196/4885EZH2 4875/4885DOT1L 4883/4885
US-20180369170-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING OPRK1, PTGES3, PTGES AMD1 4485/4885EZH2 4453/4885DOT1L 4879/4885
US-20190224144-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING OPRK1, PTGES3, PTGES AMD1 4485/4885EZH2 4453/4885DOT1L 4879/4885
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
US-10292950-B2 Method of treatment with anti-inflammatory and analgesic compounds which are GI-, renal-, and platelet-sparing OPRK1, PTGES3, PTGES AMD1 4485/4885EZH2 4453/4885DOT1L 4879/4885

“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.