SCHEMBL90994

SCHEMBL90994

CC(CC(C)C1SCC2NC(=O)NC21)C(=O)NCCCc1cn([C@@H]2O[C@H](CN3CC3)C(O)C2O)c2ncnc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.41
HLCS P50747 3/20 0.39
DOT1L Q8TEK3 6/20 0.38
DNMT1 P26358 3/20 0.38
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 1/20 0.36
ADK P55263 2/20 0.35
PRMT3 O60678 1/20 0.35
NNMT P40261 1/20 0.35

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
SCHEMBL173149 0.82 SLC29A1 (0.46) HINT1HLCSDOT1L
SCHEMBL10069367 0.77 ADK (0.49) DOT1LDNMT1PRMT5WDR77ADK
SCHEMBL66669 0.73 HINT1 (0.48) HINT1HLCSDOT1LDNMT1PRMT5
SCHEMBL67738 0.72 ADK (0.55) DOT1LPRMT5WDR77ADK
SCHEMBL90991 0.72 ADK (0.55) DOT1LPRMT5WDR77ADK
SCHEMBL91053 0.68 ADK (0.59) DOT1LADK
SCHEMBL24191528 0.65 ADK (0.51) DOT1LADK
SCHEMBL68498 0.65 HINT1 (0.42) HINT1HLCS
SCHEMBL10067432 0.65 ADK (0.48) DOT1LDNMT1PRMT5ADK
SCHEMBL17666086 0.62 HINT1 (0.77) HINT1HLCS

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 HINT1 273/4885HLCS 593/4885DOT1L 132/4885

“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.