SCHEMBL13986290

SCHEMBL13986290

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRDMT1 O14717 4/20 0.77
SMYD3 Q9H7B4 1/20 0.71
SETD2 Q9BYW2 1/20 0.71
AHCY P23526 3/20 0.64
DOT1L Q8TEK3 2/20 0.64
EHMT1 Q9H9B1 1/20 0.63
AMD1 P17707 1/20 0.62
KMT2A Q03164 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAPK1 P28482 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
STAT6 P42226 1/20 0.61

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
SCHEMBL13986353 1.00 TRDMT1 (0.77) TRDMT1SMYD3SETD2AHCYDOT1L
SCHEMBL13986343 0.92 TRDMT1 (0.75) TRDMT1SMYD3SETD2AHCYDOT1L
SCHEMBL536411 0.92 TRDMT1 (0.75) TRDMT1SMYD3SETD2AHCYDOT1L
SCHEMBL17859778 0.87 DOT1L (0.75) SMYD3SETD2AHCYDOT1LEHMT1
SCHEMBL22062450 0.87 SMYD3 (0.73) TRDMT1SMYD3SETD2DOT1LEHMT1
SCHEMBL13986292 0.83 SMYD3 (1.00) TRDMT1SMYD3SETD2DOT1LKMT2A
SCHEMBL14174647 0.83 SMYD3 (1.00) TRDMT1SMYD3SETD2DOT1LKMT2A
SCHEMBL13986347 0.83 SMYD3 (1.00) TRDMT1SMYD3SETD2DOT1LKMT2A
SCHEMBL15326840 0.83 SMYD3 (1.00) TRDMT1SMYD3SETD2DOT1LKMT2A
SCHEMBL20419303 0.82 AHCY (0.77) AHCYDOT1LEHMT1AMD1KMT2A

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-7465544-B2 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-16 US disclosed
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-12 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-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use DNMT1, MAT2A, MAT1A TRDMT1 32/4885SMYD3 99/4885SETD2 351/4885

“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.