SCHEMBL2493918

SCHEMBL2493918

O=Cc1cc(I)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.50
TK2 O00142 2/20 0.46
MAPT P10636 1/20 0.45
CDA P32320 1/20 0.45
SLC29A1 Q99808 2/20 0.44
SLC28A1 O00337 1/20 0.44
SLC28A2 O43868 1/20 0.44
SLC28A3 Q9HAS3 1/20 0.44
SLC5A2 P31639 1/20 0.44
ADK P55263 1/20 0.44
LMNA P02545 2/20 0.42
MTOR P42345 2/20 0.42
THRB P10828 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL13488831 1.00 PYGM (0.50) PYGMTK2MAPTCDASLC29A1
SCHEMBL12697578 1.00 PYGM (0.50) PYGMTK2MAPTCDASLC29A1
SCHEMBL12212603 0.84 SLC5A2 (0.46) PYGMTK2MAPTCDASLC29A1
SCHEMBL2495634 0.79 SLC5A2 (0.42) PYGMTK2MAPTCDASLC29A1
SCHEMBL12212659 0.79 SLC5A2 (0.42) PYGMTK2MAPTCDASLC29A1
SCHEMBL24653132 0.76 TK1 (0.53) TK2LMNADNMT1BLMPMP22
SCHEMBL2495653 0.75 SLC5A2 (0.57) PYGMMAPTCDASLC29A1SLC28A1
SCHEMBL12212604 0.75 SLC5A2 (0.57) PYGMMAPTCDASLC29A1SLC28A1
SCHEMBL27684364 0.70 SLC5A2 (0.61) PYGMTK2MAPTCDASLC29A1
SCHEMBL3221041 0.68 SLC28A1 (0.54) PYGMTK2CDASLC29A1SLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT PYGM 2344/4885TK2 96/4885MAPT 4831/4885

“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.