SCHEMBL1770054

SCHEMBL1770054

NCC=C(CCCCCNCCCN)SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRM P19623 4/20 0.69
SMS P52788 2/20 0.69
DOT1L Q8TEK3 2/20 0.62
DNMT3B Q9UBC3 2/20 0.62
PRMT7 Q9NVM4 1/20 0.62
PNMT P11086 1/20 0.59
DNMT1 P26358 1/20 0.59
AHCY P23526 5/20 0.58
NADK O95544 1/20 0.58
PRKACA P17612 1/20 0.56

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
SCHEMBL1770034 0.93 DOT1L (0.68) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL30760710 0.83 SRM (0.71) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL4184440 0.81 DOT1L (0.68) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL996891 0.81 DOT1L (0.68) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL5007882 0.80 SRM (0.67) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11139574 0.80 EHMT1 (0.71) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL5566482 0.78 SRM (0.63) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL21067650 0.77 DOT1L (0.71) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11135998 0.77 DOT1L (0.66) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL10665713 0.77 DOT1L (1.00) SRMDOT1LDNMT3BPRMT7PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735303-A1 Hair growth compositions and methods Pilosciences (FR) 2014-05-28 EP claimed
US-20040013691-A1 Immunotoxin as a therapeutic agent and uses thereof RESEARCH DEVELOPMENT FOUNDATION 2004-01-22 US claimed
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-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 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
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 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
US-7045550-B2 Polyamines and analogs for protecting cells during cancer chemotherapy and radiotherapy WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-05-16 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US disclosed
US-6949679-B1 Polyamine transport inhibitors UNIVERSITE LAVAL (CA) 2005-09-27 US disclosed
US-20040013691-A1 Immunotoxin as a therapeutic agent and uses thereof RESEARCH DEVELOPMENT FOUNDATION 2004-01-22 US disclosed
US-20030118539-A1 Polyamines and analogs for protecting cells during cancer chemotherapy and radiotherapy WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-26 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 (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 SRM 1/4885SMS 3/4885DOT1L 2184/4885
US-20060211773-A1 Polyamine-metal chelator conjugates SLC40A1, SLC7A1, CATSPER1 SRM 40/4885SMS 84/4885DOT1L 598/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS SRM 1/4885SMS 3/4885DOT1L 2184/4885
US-20080096974-A2 Polyamine-Metal Chelator Conjugates SLC7A1, SLC40A1, SRM SRM 3/4885SMS 13/4885DOT1L 524/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB SRM 8/4885SMS 25/4885DOT1L 4266/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 SRM 2/4885SMS 13/4885DOT1L 862/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG SRM 440/4885SMS 824/4885DOT1L 4058/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG SRM 440/4885SMS 824/4885DOT1L 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.