SCHEMBL173149

SCHEMBL173149

CC(CC(C)C1SCC2NC(=O)NC21)C(=O)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CC2)C(O)C1O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.46
HINT1 P49773 1/20 0.44
ADORA1 P30542 6/20 0.44
ADORA3 P0DMS8 2/20 0.44
DOT1L Q8TEK3 2/20 0.44
HLCS P50747 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
SCHEMBL90994 0.82 HINT1 (0.41) HINT1DOT1LHLCS
SCHEMBL91056 0.73 SLC29A1 (0.65) SLC29A1ADORA1ADORA3
SCHEMBL67122 0.73 SLC29A1 (0.65) SLC29A1ADORA1ADORA3
SCHEMBL18130974 0.72 HINT1 (0.53) SLC29A1HINT1ADORA1ADORA3HLCS
SCHEMBL1101052 0.72 HINT1 (0.63) SLC29A1HINT1HLCS
SCHEMBL21528351 0.68 HINT1 (0.55) HINT1DOT1LHLCS
SCHEMBL17666086 0.67 HINT1 (0.77) HINT1HLCS
SCHEMBL21553923 0.66 HINT1 (0.59) HINT1HLCS
SCHEMBL8180763 0.66 SLC29A1 (0.88) SLC29A1ADORA1ADORA3
SCHEMBL7183072 0.66 SLC29A1 (0.88) SLC29A1ADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129106-B2 Sequence-specific detection of methylation in biomolecules Max-Planck-Geselischaft zur Forderung der Wissenschaften E.V. (DE) 2012-03-06 US disclosed
US-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-07-07 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-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES DNMT1, MAT2B, AHCY SLC29A1 804/4885HINT1 273/4885ADORA1 1194/4885

“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.