SCHEMBL13986331

SCHEMBL13986331

CC(C)(C)[Si](C)(C)OC1[C@@H](CN=[N+]=[N-])O[C@@H](n2cnc3c(N)ncnc32)[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ADORA1 P30542 5/20 0.47
▸ ADORA3 P0DMS8 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SLC28A1 O00337 1/20 0.45
▸ MAP3K7 O43318 1/20 0.45
▸ SLC28A2 O43868 1/20 0.45
▸ GAPDH P04406 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ PI4KA P42356 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ DOT1L Q8TEK3 1/20 0.45

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
SCHEMBL13986326 0.85 ADORA1 (0.51) AHCYADORA1ADORA3SMN1; SMN2DPP4
SCHEMBL13986329 0.85 ADORA1 (0.51) AHCYADORA1ADORA3SMN1; SMN2DPP4
SCHEMBL4836541 0.85 ADORA1 (0.51) AHCYADORA1ADORA3SMN1; SMN2DPP4
SCHEMBL21565155 0.85 AHCY (0.53) AHCYALDH1A1HIF1AADORA1DOT1L
SCHEMBL19927404 0.85 AHCY (0.53) AHCYALDH1A1HIF1AADORA1ADORA3
SCHEMBL19927540 0.85 AHCY (0.53) AHCYALDH1A1HIF1AADORA1DOT1L
SCHEMBL19927403 0.85 AHCY (0.53) AHCYALDH1A1HIF1AADORA1ADORA3
SCHEMBL13773257 0.84 ADORA3 (0.61) ALDH1A1HIF1AADORA1ADORA3SMN1; SMN2
SCHEMBL22220139 0.84 ADORA3 (0.61) ALDH1A1HIF1AADORA1ADORA3SMN1; SMN2
SCHEMBL21859152 0.84 ADORA3 (0.61) ALDH1A1HIF1AADORA1ADORA3SMN1; SMN2

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 AHCY 6/4885ALDH1A1 591/4885HIF1A 3580/4885

“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.

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