SCHEMBL6907682

SCHEMBL6907682

CCC(CC(=O)O)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 5/20 0.66
CARM1 Q86X55 3/20 0.66
EHMT2 Q96KQ7 3/20 0.66
NNMT P40261 3/20 0.66
NSD2 O96028 3/20 0.66
SETD7 Q8WTS6 3/20 0.66
TRDMT1 O14717 2/20 0.66
PRMT5 O14744 2/20 0.66
INMT O95050 2/20 0.66
METTL3 Q86U44 2/20 0.66
PRMT1 Q99873 2/20 0.66
EHMT1 Q9H9B1 2/20 0.66
METTL14 Q9HCE5 2/20 0.66
SUV39H1 O43463 1/20 0.66
PRMT3 O60678 1/20 0.66
PNMT P11086 1/20 0.66
DNMT1 P26358 1/20 0.66
HNMT P50135 1/20 0.66
WDR5 P61964 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL5055541 0.85 AHCY (0.76) DOT1LPNMTDNMT1KMT2APRMT7
SCHEMBL6935387 0.83 AHCY (0.78) DOT1LPNMTDNMT1KMT2ADNMT3B
SCHEMBL1490897 0.83 AHCY (0.76) DOT1LPNMTDNMT1KMT2ADNMT3B
SCHEMBL6907707 0.83 DOT1L (0.70) DOT1LCARM1EHMT2NNMTNSD2
SCHEMBL17540920 0.82 AHCY (0.74) DOT1LCARM1EHMT2NNMTNSD2
SCHEMBL8943568 0.82 AHCY (0.74) DOT1LPNMTDNMT1KMT2ADNMT3B
SCHEMBL8943736 0.82 AHCY (0.74) DOT1LPNMTDNMT1KMT2ADNMT3B
SCHEMBL17551937 0.82 AHCY (0.74) DOT1LCARM1EHMT2NNMTNSD2
SCHEMBL8943648 0.82 AHCY (0.74) DOT1LPNMTDNMT1KMT2ADNMT3B
SCHEMBL19434083 0.82 AHCY (0.74) DOT1LCARM1EHMT2NNMTNSD2

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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP DOT1L 1250/4885CARM1 998/4885EHMT2 465/4885

“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.