SCHEMBL536444

SCHEMBL536444

NCC[Se]Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 10/20 0.57
ADRB1 P08588 1/20 0.54
DNMT3B Q9UBC3 4/20 0.54
FPR2 P25090 2/20 0.49
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TK2 O00142 1/20 0.44
TK1 P04183 1/20 0.44
PNP P00491 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX12 P18054 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL536445 1.00 DNMT1 (0.57) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL1665907 0.86 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL1665903 0.86 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL25837386 0.85 DNMT1 (0.64) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL231959 0.85 DNMT1 (0.64) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL231960 0.85 DNMT1 (0.64) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL22299584 0.85 DNMT1 (0.64) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL29431942 0.85 DNMT1 (0.64) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL9780849 0.84 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2LMNA
SCHEMBL5982018 0.84 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505797-B2 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2016-11-29 US claimed
US-20150093752-A1 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2015-04-02 US claimed
US-20170067093-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES VILNIUS UNIVERSITY (LT) 2017-03-09 US disclosed
US-9505797-B2 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2016-11-29 US disclosed
EP-2414527-B1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INST (LT) 2015-05-20 EP disclosed
US-20150093752-A1 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2015-04-02 US disclosed
US-8889352-B2 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2014-11-18 US disclosed
US-8822146-B2 Derivatization of biomolecules by covalent coupling of non-cofactor compounds using methyltransferases VILNIUS UNIVERSITY (LT) 2014-09-02 US disclosed
EP-2414528-B1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES UNIV VILNIUS (LT) 2014-05-07 EP disclosed
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-19 US disclosed
US-20120088238-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-12 US disclosed
EP-2414528-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
EP-2414527-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
WO-2010115847-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 WO disclosed
WO-2010115846-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 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 (2 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-20120088238-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES HNMT, SHMT1, BHMT DNMT1 18/4885ADRB1 2257/4885DNMT3B 69/4885
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES EZH1, DOHH, BHMT2 DNMT1 9/4885ADRB1 4243/4885DNMT3B 14/4885

“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.