SCHEMBL1398379

SCHEMBL1398379

NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 6/20 1.00
DNMT3B Q9UBC3 3/20 1.00
PRMT7 Q9NVM4 2/20 1.00
PNMT P11086 2/20 0.88
DNMT1 P26358 2/20 0.88
AHCY P23526 4/20 0.74
NADK O95544 1/20 0.74
CARM1 Q86X55 2/20 0.71
EHMT2 Q96KQ7 2/20 0.71
PRMT5 O14744 2/20 0.71
TRDMT1 O14717 1/20 0.71
SUV39H1 O43463 1/20 0.71
PRMT3 O60678 1/20 0.71
INMT O95050 1/20 0.71
NSD2 O96028 1/20 0.71
NNMT P40261 1/20 0.71
HNMT P50135 1/20 0.71
WDR5 P61964 1/20 0.71
KMT2A Q03164 1/20 0.71
SETDB1 Q15047 1/20 0.71

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
SCHEMBL10665713 1.00 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL14174636 1.00 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL14158851 1.00 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL5055464 0.94 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL8572440 0.94 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL14174635 0.94 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL16272276 0.94 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL6904158 0.92 DOT1L (0.85) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL27092944 0.92 DOT1L (0.85) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL30216716 0.91 DOT1L (0.83) DOT1LDNMT3BPRMT7PNMTDNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP claimed
EP-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
EP-1981862-B1 LANTHIONINE-RELATED COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES OKLAHOMA MED RES FOUND (US) 2011-03-02 EP disclosed
US-7683055-B2 Lanthionine-related compounds for the treatment of inflammatory diseases OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2010-03-23 US disclosed
EP-1981862-A2 LANTHIONINE-RELATED COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES Oklahoma Medical Research Foundation (US) 2008-10-22 EP disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
EP-1844062-A2 INHIBITORS OF DNA METHYLTRANSFERASE Methylgene, Inc. (CA) 2007-10-17 EP disclosed
US-20070197515-A1 LANTHIONINE-RELATED COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES OKLAHOMA MEDICAL RESEARCH FOUNDATION 2007-08-23 US disclosed
WO-2007082208-A2 LANTHIONINE-RELATED COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2007-07-19 WO disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 WO disclosed
US-4794174-A ENZYME INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 1988-12-27 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 (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-20070197515-A1 LANTHIONINE-RELATED COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES SLC7A11, AADAT, TSPO DOT1L 4173/4885DNMT3B 3542/4885PRMT7 3413/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 DOT1L 13/4885DNMT3B 64/4885PRMT7 5/4885
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid DNMT3B, DNMT1, DNMT3L DOT1L 24/4885DNMT3B 1/4885PRMT7 60/4885

“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.