SCHEMBL1770868

SCHEMBL1770868

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 6/20 1.00
EZH2 Q15910 1/20 0.71
DOT1L Q8TEK3 3/20 0.69
ADORA1 P30542 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
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
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 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
SCHEMBL12915033 1.00 AMD1 (1.00) AMD1EZH2DOT1LADORA1SMN1; SMN2
SCHEMBL956861 1.00 AMD1 (1.00) AMD1EZH2DOT1LADORA1SMN1; SMN2
SCHEMBL15012930 1.00 AMD1 (1.00) AMD1EZH2DOT1LADORA1SMN1; SMN2
Sulfuric Acid SCHEMBL951631 0.95 AMD1 (0.91) AMD1EZH2DOT1LADORA1SMN1; SMN2
Sulfuric Acid SCHEMBL951636 0.95 AMD1 (0.91) AMD1EZH2DOT1LADORA1SMN1; SMN2
SCHEMBL29521205 0.93 AMD1 (0.92) AMD1EZH2DOT1LADORA1SMN1; SMN2
Sulfuric Acid SCHEMBL952228 0.89 AMD1 (1.00) AMD1EZH2DOT1LADORA1SMN1; SMN2
Sulfuric Acid SCHEMBL952231 0.89 AMD1 (1.00) AMD1EZH2DOT1LADORA1SMN1; SMN2
SCHEMBL19111327 0.89 AMD1 (0.80) AMD1EZH2DOT1LADORA1SMN1; SMN2
SCHEMBL13986400 0.89 AMD1 (0.80) AMD1EZH2DOT1LADORA1SMN1; 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 56 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-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-9867794-B2 Regulation of osteopontin PATHOLOGICA LLC (US) 2018-01-16 US disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 US disclosed
EP-3228310-A1 METHYLGLYOXAL BIS(GUANYL-HYDRAZONE) FOR REGULATING OSTEOPONTIN IN A SUBJECT Pathologica LLC (US) 2017-10-11 EP disclosed
US-9616035-B2 Pharmaceutical for oral delivery comprising MGBG and methods of treating disease PATHOLOGICA, LLC (US) 2017-04-11 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US disclosed
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use MEDIQUEST THERAPEUTICS, INC. (US) 2005-08-11 US disclosed
WO-2005023310-A2 POLYAMINE-METAL CHELATOR CONJUGATES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-03-17 WO disclosed
US-20050003024-A1 Regulation of mammalian hair growth THE PROCTER & GAMBLE COMPANY 2005-01-06 US disclosed
WO-2004078157-A2 REGULATION OF MAMMALIAN HAIR GROWTH THE PROCTER & GAMBLE COMPANY (US) 2004-09-16 WO disclosed
EP-1373185-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE Mediquest Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030187276-A1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. 2003-10-02 US disclosed
WO-2002053519-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS, INC. (US) 2002-07-11 WO disclosed
US-5872104-A BACTERICIDES AND RESISTANT BACTERIA WITH METHYLATION INHIBITORS ORIDIGM CORPORATION (US) 1999-02-16 US disclosed
WO-1996020010-A1 COMBINATION FOR REDUCING ANTIMICROBIAL RESISTANCE USING A METHYLATION INHIBITOR IN COMBINATION WITH AN ANTIBIOTIC ORIDIGM CORPORATION (US) 1996-07-04 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-20030187276-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT AMD1 170/4885EZH2 1970/4885DOT1L 595/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS AMD1 6/4885EZH2 1253/4885DOT1L 2184/4885
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT AMD1 170/4885EZH2 1970/4885DOT1L 595/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB AMD1 20/4885EZH2 3221/4885DOT1L 4266/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 AMD1 154/4885EZH2 2893/4885DOT1L 862/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG AMD1 940/4885EZH2 3355/4885DOT1L 4058/4885
US-20050003024-A1 Regulation of mammalian hair growth BHMT, UGCG, HNMT AMD1 2554/4885EZH2 4279/4885DOT1L 1117/4885
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.