SCHEMBL996743

SCHEMBL996743

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(N)CCO)[C@@H](O)[C@H]1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.78
EHMT1 Q9H9B1 5/20 0.78
DOT1L Q8TEK3 3/20 0.78
NNMT P40261 3/20 0.78
NSD2 O96028 2/20 0.78
PCMT1 P22061 2/20 0.78
SETD7 Q8WTS6 2/20 0.78
TRDMT1 O14717 1/20 0.78
PRMT5 O14744 1/20 0.78
RNMT O43148 1/20 0.78
INMT O95050 1/20 0.78
TPMT P51580 1/20 0.78
METTL3 Q86U44 1/20 0.78
CARM1 Q86X55 1/20 0.78
NSD1 Q96L73 1/20 0.78
PRMT1 Q99873 1/20 0.78
SETD2 Q9BYW2 1/20 0.78
NSD3 Q9BZ95 1/20 0.78
METTL14 Q9HCE5 1/20 0.78
ADORA3 P0DMS8 2/20 0.72

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
Sinefungin SCHEMBL38665462 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL3400839 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL10400321 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL24478706 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL167609 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL23607779 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL19421010 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL14174630 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL20992057 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2
Sinefungin SCHEMBL30779328 0.88 NSD2 (1.00) EHMT2EHMT1DOT1LNNMTNSD2

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 28 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-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
EP-1373185-B1 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE AMINEX THERAPEUTICS INC (US) 2017-03-01 EP disclosed
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 US 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
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
EP-1373185-A4 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6963010-B2 Anticancer agents; osteoporosis; autoimmune disease MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-08 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 EHMT2 176/4885EHMT1 249/4885DOT1L 595/4885
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS EHMT2 387/4885EHMT1 248/4885DOT1L 2184/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS EHMT2 387/4885EHMT1 248/4885DOT1L 2184/4885
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT EHMT2 176/4885EHMT1 249/4885DOT1L 595/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB EHMT2 2679/4885EHMT1 2131/4885DOT1L 4266/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB EHMT2 2679/4885EHMT1 2131/4885DOT1L 4266/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 EHMT2 1803/4885EHMT1 1288/4885DOT1L 862/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG EHMT2 1787/4885EHMT1 1757/4885DOT1L 4058/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG EHMT2 1787/4885EHMT1 1757/4885DOT1L 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.