SCHEMBL91051

SCHEMBL91051

CSOC[C@H]1O[C@@H](n2cc(CNC(=O)C(F)(F)F)c3c(N)ncnc32)C(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.51
PRMT5 O14744 6/20 0.46
METTL3 Q86U44 3/20 0.45
ATG7 O95352 5/20 0.45
DOT1L Q8TEK3 2/20 0.44
PRMT3 O60678 1/20 0.44
DNMT1 P26358 1/20 0.44
NNMT P40261 1/20 0.44

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
SCHEMBL10067432 0.91 ADK (0.48) ADKPRMT5METTL3ATG7DOT1L
SCHEMBL12405891 0.87 ADK (0.57) ADKDOT1L
SCHEMBL91049 0.87 RXFP1 (0.43) ADKPRMT5METTL3ATG7
SCHEMBL12522464 0.83 ADK (0.60) ADKPRMT5METTL3ATG7DOT1L
SCHEMBL10067434 0.78 RXFP1 (0.41) ADKPRMT5METTL3ATG7DOT1L
SCHEMBL12405887 0.78 ADK (0.52) ADKDOT1L
SCHEMBL10067433 0.76 PI4KA (0.54) ADKDOT1L
SCHEMBL12374617 0.73 ADK (0.62) ADKPRMT5DOT1LPRMT3DNMT1
SCHEMBL91052 0.73 SLC29A1 (0.58) DOT1L
SCHEMBL1228087 0.72 AHCY (0.72) DOT1L

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 ADK 291/4885PRMT5 43/4885METTL3 103/4885

“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.