SCHEMBL7107741

SCHEMBL7107741

O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.55
TK2 O00142 2/20 0.54
MAPT P10636 1/20 0.51
CDA P32320 1/20 0.51
SLC29A1 Q99808 2/20 0.50
SLC28A1 O00337 1/20 0.50
SLC28A2 O43868 1/20 0.50
SLC28A3 Q9HAS3 1/20 0.50
P2RY2 P41231 5/20 0.49
DNPH1 O43598 1/20 0.49

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
SCHEMBL25385069 0.84 PYGM (0.61) PYGMTK2SLC29A1SLC28A1SLC28A2
SCHEMBL2580905 0.84 PYGM (0.61) PYGMTK2SLC29A1SLC28A1SLC28A2
SCHEMBL5656890 0.82 PYGM (0.58) PYGMTK2MAPTCDASLC29A1
SCHEMBL5656888 0.82 PYGM (0.58) PYGMTK2MAPTCDASLC29A1
SCHEMBL16631629 0.82 PYGM (0.52) PYGMTK2SLC29A1SLC28A1SLC28A2
SCHEMBL16631628 0.82 PYGM (0.53) PYGMTK2SLC29A1SLC28A1SLC28A2
SCHEMBL16631584 0.82 PYGM (0.51) PYGMTK2SLC29A1SLC28A1SLC28A2
SCHEMBL16871785 0.81 PYGM (0.57) PYGMTK2MAPTCDASLC29A1
SCHEMBL7924237 0.81 PYGM (0.57) PYGMTK2MAPTCDASLC29A1
SCHEMBL16631545 0.80 PYGM (0.56) PYGMTK2SLC29A1SLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1156583-C Parallel ligand index concentration system generating method ���ɿ������޹�˾ 2004-07-07 CN disclosed
US-20030099945-A1 Parallel selex INVENUX, INC. (US) 2003-05-29 US disclosed
CN-1367845-A Parallel ligand index enrichment system generation method INWENNACS CORP (US) 2002-09-04 CN disclosed
EP-1115887-A4 PARALLEL SELEX INVENUX INC (US) 2002-07-17 EP disclosed
EP-1115887-A1 PARALLEL SELEX Invenux, Inc. (US) 2001-07-18 EP disclosed
US-6048698-A PRODUCING PRODUCTS BY BOND FORMATION OF A REACTANT BOUND TO NUCLEIC ACID AND A FREE REACTANT, THEN CONTACTING PRODUCT LIBRARY WITH TARGET TO PARTITION PRODUCTS BY ABILITY TO PERFORM PRESELECTED FUNCTION NEXSTAR PHARMACEUTICALS, INC. (US) 2000-04-11 US disclosed
WO-2000017398-A1 PARALLEL SELEX INVENUX, INC. (US) 2000-03-30 WO disclosed
US-5858660-A FORMING PRODUCT LIBRARY BY CONTACTING TWO OR MORE REACTANTS WHERE ONE REACTANT IS COUPLED TO NUCLEIC ACID CAPABLE OF MEDIATING BOND FORMATION, SELECTING PRODUCTS HAVING PREDETERMINED CHARACTERISTICS NEXSTAR PHARMACEUTICLAS, INC. (US) 1999-01-12 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-20030099945-A1 Parallel selex SELE, MTREX, NSUN3 PYGM 4211/4885TK2 2810/4885MAPT 3383/4885

“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.