SCHEMBL17079892

SCHEMBL17079892

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[Se]CC[C@@H](N)C(=O)O)[C@H](O)C1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.76
DOT1L Q8TEK3 5/20 0.75
EHMT2 Q96KQ7 4/20 0.75
CARM1 Q86X55 4/20 0.75
NSD2 O96028 3/20 0.75
SETD7 Q8WTS6 3/20 0.75
PCMT1 P22061 2/20 0.75
TRDMT1 O14717 2/20 0.75
PRMT5 O14744 2/20 0.75
INMT O95050 2/20 0.75
METTL3 Q86U44 2/20 0.75
PRMT1 Q99873 2/20 0.75
EHMT1 Q9H9B1 2/20 0.75
METTL14 Q9HCE5 2/20 0.75
RNMT O43148 1/20 0.75
TPMT P51580 1/20 0.75
NSD1 Q96L73 1/20 0.75
SETD2 Q9BYW2 1/20 0.75
NSD3 Q9BZ95 1/20 0.75
FASN P49327 3/20 0.73

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
SCHEMBL17079889 1.00 NNMT (0.76) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092943 1.00 NNMT (0.76) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL28157647 1.00 NNMT (0.76) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092948 1.00 NNMT (0.76) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092952 0.91 NNMT (0.64) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092945 0.91 NNMT (0.64) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092986 0.91 EHMT2 (0.71) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092981 0.91 EHMT2 (0.71) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092930 0.90 NNMT (0.62) NNMTDOT1LEHMT2CARM1NSD2
SCHEMBL27092937 0.90 NNMT (0.62) NNMTDOT1LEHMT2CARM1NSD2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613552-B2 Pharmaceutical agents, compositions, and methods relating thereto ALLTECH, INC. (US) 2023-03-28 US disclosed
EP-3144001-B1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH INC (US) 2021-08-11 EP disclosed
US-20210238216-A1 PHARMACEUTICAL AGENTS, COMPOSITIONS, AND METHODS RELATING THERETO WILMINGTON TRUST, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2021-08-05 US disclosed
US-11014954-B2 Pharmaceutical agents, compositions, and methods relating thereto ALLTECH, INC. (US) 2021-05-25 US disclosed
EP-3116511-B1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH INC (US) 2020-08-26 EP disclosed
US-20200123191-A1 PHARMACEUTICAL AGENTS, COMPOSITIONS, AND METHODS RELATING THERETO ALLTECH, INC. (US) 2020-04-23 US disclosed
EP-3624809-A1 PHARMACEUTICAL AGENTS, COMPOSITIONS, AND METHODS RELATING THERETO Alltech, Inc. (US) 2020-03-25 EP disclosed
US-10201559-B2 Compositions of selenoorganic compounds and methods of use thereof ALLTECH, INC. (US) 2019-02-12 US disclosed
US-10201558-B2 Compositions of selenoorganic compounds and methods of use thereof ALLTECH, INC. (US) 2019-02-12 US disclosed
WO-2018212980-A1 PHARMACEUTICAL AGENTS, COMPOSITIONS, AND METHODS RELATING THERETO ALLTECH, INC. (US) 2018-11-22 WO disclosed
WO-2017048253-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH, INC. (US) 2017-03-23 WO disclosed
WO-2017048252-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH, INC. (US) 2017-03-23 WO disclosed
EP-3144001-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF Alltech, Inc. (US) 2017-03-22 EP disclosed
EP-3116511-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF Alltech, Inc. (US) 2017-01-18 EP disclosed
US-20160361338-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH, INC. (US) 2016-12-15 US disclosed
US-20160082033-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2016-03-24 US disclosed
US-20160045533-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2016-02-18 US disclosed
WO-2015137983-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH, INC. (US) 2015-09-17 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-20160045533-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF SCLY, BHMT2, CBS NNMT 80/4885DOT1L 2083/4885EHMT2 354/4885
US-10201559-B2 Compositions of selenoorganic compounds and methods of use thereof SHMT2, FPGS, MTR NNMT 234/4885DOT1L 2491/4885EHMT2 446/4885
US-20160361338-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF SHMT2, FPGS, MTR NNMT 234/4885DOT1L 2491/4885EHMT2 446/4885
US-20210238216-A1 PHARMACEUTICAL AGENTS, COMPOSITIONS, AND METHODS RELATING THERETO PCSK9, PCSK7, PDE3A NNMT 3918/4885DOT1L 4783/4885EHMT2 4826/4885
US-11014954-B2 Pharmaceutical agents, compositions, and methods relating thereto PCSK9, PCSK7, PDE3A NNMT 3918/4885DOT1L 4783/4885EHMT2 4826/4885
US-20160082033-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF PSEN2, PSEN1, BACE1 NNMT 32/4885DOT1L 3832/4885EHMT2 1847/4885
US-11613552-B2 Pharmaceutical agents, compositions, and methods relating thereto PCSK9, PCSK7, PDE3A NNMT 3918/4885DOT1L 4783/4885EHMT2 4826/4885
US-10201558-B2 Compositions of selenoorganic compounds and methods of use thereof PSEN2, PSEN1, BACE1 NNMT 32/4885DOT1L 3832/4885EHMT2 1847/4885
US-20200123191-A1 PHARMACEUTICAL AGENTS, COMPOSITIONS, AND METHODS RELATING THERETO PCSK9, PCSK7, PDE3A NNMT 3918/4885DOT1L 4783/4885EHMT2 4826/4885

“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.