SCHEMBL67738

SCHEMBL67738

NCCCc1cn([C@@H]2O[C@H](CN3CC3)C(O)[C@@H]2O)c2ncnc(N)c12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADK P55263 14/20 0.55
DOT1L Q8TEK3 2/20 0.50
NPC1 O15118 1/20 0.50
GALR3 O60755 1/20 0.50
S1PR4 O95977 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
S1PR1 P21453 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
METTL3 Q86U44 1/20 0.48
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46

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
SCHEMBL90991 1.00 ADK (0.55) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL91053 0.90 ADK (0.59) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL10069367 0.84 ADK (0.49) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL25027456 0.77 ADK (0.69) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL6685798 0.76 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL59610 0.75 DPP4 (0.74) DOT1LPRMT5WDR77
SCHEMBL173151 0.75 DPP4 (0.74) DOT1LPRMT5WDR77
SCHEMBL13986299 0.75 DPP4 (0.74) DOT1LPRMT5WDR77
SCHEMBL20419130 0.71 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL22399485 0.71 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4

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 291/4885DOT1L 132/4885NPC1 4773/4885

“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.