SCHEMBL687554

SCHEMBL687554

C[Se]CC[C@H](NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1[SeH])C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.54
DOT1L Q8TEK3 6/20 0.53
NSD2 O96028 5/20 0.53
CARM1 Q86X55 5/20 0.53
SETD7 Q8WTS6 4/20 0.53
EHMT2 Q96KQ7 4/20 0.53
PRMT1 Q99873 3/20 0.53
PCMT1 P22061 2/20 0.53
SETD2 Q9BYW2 2/20 0.53
TRDMT1 O14717 2/20 0.53
PRMT5 O14744 2/20 0.53
INMT O95050 2/20 0.53
METTL3 Q86U44 2/20 0.53
EHMT1 Q9H9B1 2/20 0.53
METTL14 Q9HCE5 2/20 0.53
RNMT O43148 1/20 0.53
TPMT P51580 1/20 0.53
NSD1 Q96L73 1/20 0.53
NSD3 Q9BZ95 1/20 0.53
FASN P49327 3/20 0.53

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
SCHEMBL29489322 0.93 NNMT (0.54) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL28735751 0.93 NNMT (0.54) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL2167317 0.93 NNMT (0.60) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL28374502 0.93 NNMT (0.59) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL16057650 0.90 NNMT (0.57) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL29620377 0.83 NNMT (0.57) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL21853808 0.83 NNMT (0.57) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL22444816 0.83 NNMT (0.64) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL9754 0.83 NNMT (0.64) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL29378634 0.83 NNMT (0.64) NNMTDOT1LNSD2CARM1SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018002520-A1 USE OF AT LEAST ONE SELENISED COMPOUND TO INCREASE THE ETHANOL CONTENT OF A COMPOSITION AND ALCOHOLIC FERMENTATION PROCESS USING A PARTICULAR SELENISED COMPOUND METABOLIUM (FR) 2018-01-04 WO claimed
EP-3116511-B1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH INC (US) 2020-08-26 EP disclosed
CN-111117895-A Algal lipid compositions and methods of making and using the same 全技术公司 2020-05-08 CN disclosed
US-10201559-B2 Compositions of selenoorganic compounds and methods of use thereof ALLTECH, INC. (US) 2019-02-12 US disclosed
EP-2686416-B1 COMPOSITIONS AND METHODS FOR SEPARATING, CHARACTERIZING AND ADMINISTERING SOLUBLE SELENOGLYCOPROTEINS ALLTECH INC (US) 2018-11-07 EP disclosed
WO-2018002520-A1 USE OF AT LEAST ONE SELENISED COMPOUND TO INCREASE THE ETHANOL CONTENT OF A COMPOSITION AND ALCOHOLIC FERMENTATION PROCESS USING A PARTICULAR SELENISED COMPOUND METABOLIUM (FR) 2018-01-04 WO disclosed
US-9833486-B2 Compositions comprising selenium and use of same for the treatment and prevention of disease or conditions associated with mitochondrial dysfunction ALLTECH, INC. (US) 2017-12-05 US disclosed
US-20160361338-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH, INC. (US) 2016-12-15 US disclosed
US-20160113977-A1 COMPOSITIONS COMPRISING SELENIUM AND USE OF SAME FOR THE TREATMENT AND PREVENTION OF DISEASE OR CONDITIONS ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION WILMINGTON TRUST, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2016-04-28 US disclosed
EP-2968404-A1 COMPOSITIONS COMPRISING SELENIUM AND USE OF SAME FOR THE TREATMENT AND PREVENTION OF DISEASE OR CONDITIONS ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION Alltech, Inc. (US) 2016-01-20 EP disclosed
US-20080107755-A1 Methods and compositions for altering cell function ALLTECH, INC. (US) 2008-05-08 US disclosed
US-20080008692-A1 Administer sodium selenite with an antioxidant; enhance expression of Lhx8 gene associated with cognitive function; antioxidant is alkylated diphenylamines, N-alkylated phenylenediamines, phenyl- alpha -naphthylamine; Alzheimer's, Pick's disease; promote development of basal forebrain cholinergic neurons ALLTECH, INC. (US) 2008-01-10 US disclosed
US-20080004255-A1 Methods and compositions for altering cell function ALLTECH, INC. (US) 2008-01-03 US disclosed
WO-2007127273-A2 METHODS AND COMPOSITIONS FOR ALTERING CELL FUNCTION ALLTECH, INC. (US) 2007-11-08 WO disclosed
US-20070155687-A1 Methods and compositions for altering cell function ALLTECH, INC. (US) 2007-07-05 US disclosed
US-20070122491-A1 Methods and compositions for altering cell function ALLTECH, INC. (US) 2007-05-31 US disclosed
EP-1779857-A1 Use of selenium compounds, especially selenium yeasts in the treatment of Alzheimer, neurodegenerative diseases and diabetes Alltech, Inc. (US) 2007-05-02 EP disclosed
EP-1779856-A1 Use of selenium compounds, especially selenium yeasts in the treatment of Alzheimer, neurodegenerative diseases and diabetes Alltech, Inc. (US) 2007-05-02 EP disclosed
EP-1779858-A1 Use of selenium compounds, especially selenium yeasts for altering cognitive function Alltech, Inc. (US) 2007-05-02 EP disclosed
EP-1774972-A1 Use of selenium compounds, especially selenium yeasts in the treatment of Alzheimer, neurodegenerative diseases and diabetes Alltech, Inc. (US) 2007-04-18 EP 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 (3 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-20160113977-A1 COMPOSITIONS COMPRISING SELENIUM AND USE OF SAME FOR THE TREATMENT AND PREVENTION OF DISEASE OR CONDITIONS ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION CS, GOT2, SHMT2 NNMT 560/4885DOT1L 3311/4885NSD2 3171/4885
US-10201559-B2 Compositions of selenoorganic compounds and methods of use thereof SHMT2, FPGS, MTR NNMT 234/4885DOT1L 2491/4885NSD2 1210/4885
US-20160361338-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF SHMT2, FPGS, MTR NNMT 234/4885DOT1L 2491/4885NSD2 1210/4885

“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.