SCHEMBL14174632

SCHEMBL14174632

Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)CC1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 8/20 0.73
EZH2 Q15910 5/20 0.73
CARM1 Q86X55 3/20 0.73
EHMT2 Q96KQ7 3/20 0.73
NNMT P40261 3/20 0.73
NSD2 O96028 3/20 0.73
SETD7 Q8WTS6 3/20 0.73
PRMT1 Q99873 3/20 0.73
DNMT1 P26358 3/20 0.73
HNMT P50135 2/20 0.73
TRDMT1 O14717 2/20 0.73
PRMT5 O14744 2/20 0.73
INMT O95050 2/20 0.73
METTL3 Q86U44 2/20 0.73
EHMT1 Q9H9B1 2/20 0.73
METTL14 Q9HCE5 2/20 0.73
FASN P49327 2/20 0.73
DNMT3B Q9UBC3 2/20 0.73
SUV39H1 O43463 1/20 0.73
PRMT3 O60678 1/20 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
SCHEMBL6341709 1.00 DOT1L (0.73) DOT1LEZH2CARM1EHMT2NNMT
SCHEMBL19245152 0.91 DOT1L (0.60) DOT1LEZH2CARM1EHMT2NNMT
SCHEMBL19245155 0.90 DOT1L (0.59) DOT1LEZH2CARM1EHMT2NNMT
SCHEMBL19245156 0.87 DNMT1 (0.74) DOT1LEZH2CARM1EHMT2NNMT
SCHEMBL14174715 0.87 DNMT1 (0.73) DOT1LEZH2CARM1EHMT2NNMT
S-Adenosylhomocysteine SCHEMBL13073142 0.84 DOT1L (1.00) DOT1LEZH2CARM1EHMT2NNMT
S-Adenosylhomocysteine SCHEMBL18826562 0.84 DOT1L (1.00) DOT1LEZH2CARM1EHMT2NNMT
S-Adenosylhomocysteine SCHEMBL17316165 0.84 DOT1L (1.00) DOT1LEZH2CARM1EHMT2NNMT
S-Adenosylhomocysteine SCHEMBL13033864 0.84 DOT1L (1.00) DOT1LEZH2CARM1EHMT2NNMT
S-Adenosylhomocysteine SCHEMBL21160481 0.84 DOT1L (1.00) DOT1LEZH2CARM1EHMT2NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-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 24/4885EZH2 65/4885CARM1 158/4885

“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.