SCHEMBL536411

SCHEMBL536411

C#CCN(CCI)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRDMT1 O14717 3/20 0.75
DOT1L Q8TEK3 5/20 0.70
PRMT1 Q99873 3/20 0.68
CARM1 Q86X55 2/20 0.68
EHMT2 Q96KQ7 1/20 0.68
AHCY P23526 2/20 0.63
KMT2A Q03164 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60

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
SCHEMBL13986343 1.00 TRDMT1 (0.75) TRDMT1DOT1LPRMT1CARM1EHMT2
SCHEMBL13986353 0.92 TRDMT1 (0.77) TRDMT1DOT1LPRMT1CARM1AHCY
SCHEMBL13986290 0.92 TRDMT1 (0.77) TRDMT1DOT1LPRMT1CARM1AHCY
SCHEMBL13986348 0.82 DOT1L (1.00) TRDMT1DOT1LPRMT1CARM1EHMT2
SCHEMBL13986355 0.82 DOT1L (1.00) TRDMT1DOT1LPRMT1CARM1EHMT2
SCHEMBL17859778 0.82 DOT1L (0.75) DOT1LPRMT1CARM1AHCYKMT2A
SCHEMBL20419303 0.81 AHCY (0.77) DOT1LAHCYKMT2ADPP4MEN1
SCHEMBL538530 0.80 AHCY (0.80) DOT1LAHCYKMT2ADPP4MEN1
SCHEMBL6297859 0.80 AHCY (0.80) DOT1LAHCYKMT2ADPP4MEN1
SCHEMBL538531 0.80 AHCY (0.80) DOT1LAHCYKMT2ADPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822146-B2 Derivatization of biomolecules by covalent coupling of non-cofactor compounds using methyltransferases VILNIUS UNIVERSITY (LT) 2014-09-02 US disclosed
EP-2414528-B1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES UNIV VILNIUS (LT) 2014-05-07 EP disclosed
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-19 US disclosed
EP-2414528-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
WO-2010115846-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 WO 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-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES EZH1, DOHH, BHMT2 TRDMT1 349/4885DOT1L 22/4885PRMT1 118/4885

“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.