SCHEMBL952217

SCHEMBL952217

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 3/20 0.73
EZH2 Q15910 1/20 0.69
DOT1L Q8TEK3 5/20 0.67
PRMT1 Q99873 1/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAPK1 P28482 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PI4K2B Q8TCG2 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
SCHEMBL952218 1.00 AMD1 (0.73) AMD1EZH2DOT1LPRMT1DPP4
SCHEMBL15012484 1.00 AMD1 (0.73) AMD1EZH2DOT1LPRMT1DPP4
SCHEMBL1770049 0.94 AMD1 (0.76) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL1770046 0.94 AMD1 (0.76) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL10660872 0.89 DOT1L (0.75) AMD1EZH2DOT1LPRMT1AHCY
SCHEMBL10668844 0.89 AMD1 (0.67) AMD1EZH2DOT1LPRMT1DPP4
SCHEMBL995958 0.89 AMD1 (0.77) AMD1EZH2DOT1LPRMT1DPP4
SCHEMBL13986400 0.89 AMD1 (0.80) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL10664656 0.89 AMD1 (0.69) AMD1EZH2DOT1LPRMT1DPP4
Water SCHEMBL10664708 0.89 AMD1 (0.76) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220260583-A1 CHEMOPROTEOMIC PROFILING OF PROTEIN ELECTROPHILIC AND OXIDATIVE POST-TRANSLATIONAL MODIFICATIONS Zenagem, LLC 2022-08-18 US disclosed
US-11226337-B2 Chemoproteomic profiling of protein electrophilic and oxidative post-translational modifications Zenagem, LLC (US) 2022-01-18 US disclosed
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-20190204336-A1 CHEMOPROTEOMIC PROFILING OF PROTEIN ELECTROPHILIC AND OXIDATIVE POST-TRANSLATIONAL MODIFICATIONS Zenagem, LLC 2019-07-04 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
EP-2453886-B1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2018-12-12 EP disclosed
US-9867794-B2 Regulation of osteopontin PATHOLOGICA LLC (US) 2018-01-16 US disclosed
EP-2665471-B1 CONTROLLED RELEASE ORAL PHARMACEUTICAL DOSAGE FORMS COMPRISING MGBG PATHOLOGICA LLC (US) 2017-12-27 EP disclosed
EP-3228310-A1 METHYLGLYOXAL BIS(GUANYL-HYDRAZONE) FOR REGULATING OSTEOPONTIN IN A SUBJECT Pathologica LLC (US) 2017-10-11 EP disclosed
EP-2121586-B1 MGBG FOR THE REGULATION OF OSTEOPONTIN AND THE TREATMENT OF MULTIPLE SCLEROSIS PATHOLOGICA LLC (US) 2017-03-08 EP disclosed
WO-2009018541-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE SOUTHERN RESEARCH INSTITUTE (US) 2009-02-05 WO disclosed
US-20080262092-A1 REGULATION OF OSTEOPONTIN PATHOLOGICA LLC. (US) 2008-10-23 US disclosed
EP-1667727-B1 POLYAMINE-METAL CHELATOR CONJUGATES UNIV FLORIDA (US) 2008-07-09 EP disclosed
US-20080096974-A2 Polyamine-Metal Chelator Conjugates UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-04-24 US disclosed
US-20060211773-A1 Polyamine-metal chelator conjugates UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2006-09-21 US disclosed
EP-1667727-A2 POLYAMINE-METAL CHELATOR CONJUGATES University of Florida Research Foundation, Inc. (US) 2006-06-14 EP disclosed
WO-2005023310-A2 POLYAMINE-METAL CHELATOR CONJUGATES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-03-17 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
US-4794174-A ENZYME INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 1988-12-27 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 (6 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-20190204336-A1 CHEMOPROTEOMIC PROFILING OF PROTEIN ELECTROPHILIC AND OXIDATIVE POST-TRANSLATIONAL MODIFICATIONS PTMS, CHAMP1, STUB1 AMD1 1916/4885EZH2 1588/4885DOT1L 1026/4885
US-11226337-B2 Chemoproteomic profiling of protein electrophilic and oxidative post-translational modifications PTMS, CHAMP1, STUB1 AMD1 1916/4885EZH2 1588/4885DOT1L 1026/4885
US-20060211773-A1 Polyamine-metal chelator conjugates SLC40A1, SLC7A1, CATSPER1 AMD1 717/4885EZH2 2449/4885DOT1L 598/4885
US-20220260583-A1 CHEMOPROTEOMIC PROFILING OF PROTEIN ELECTROPHILIC AND OXIDATIVE POST-TRANSLATIONAL MODIFICATIONS STUB1, PTMS, TMT1A AMD1 2518/4885EZH2 1192/4885DOT1L 1018/4885
US-20080096974-A2 Polyamine-Metal Chelator Conjugates SLC7A1, SLC40A1, SRM AMD1 311/4885EZH2 2456/4885DOT1L 524/4885

“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.