SCHEMBL4810101

SCHEMBL4810101

O=c1ccn([C@@H]2CC(O)[C@H](CO)O2)c(=O)n1I

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.51
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADRB1 P08588 1/20 0.48
DNMT1 P26358 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX12 P18054 1/20 0.46
ADRA1A P35348 1/20 0.46
TK2 O00142 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
SCHEMBL4810094 1.00 TK1 (0.51) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL16348682 0.84 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL27054419 0.84 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL24420515 0.84 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL22992579 0.84 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL24420755 0.84 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL2056583 0.82 TK1 (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL25295079 0.80 TK1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL8176498 0.78 LMNA (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL18271789 0.78 LMNA (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414117-B2 Nucleotide derivative and DNA microarray NGK INSULATORS, LTD. (JP) 2008-08-19 US disclosed
US-7323555-B2 Nucleotide derivative and DNA microarray ISAO SAITO (JP) 2008-01-29 US disclosed
EP-1731525-A9 NUCLEOTIDE DERIVATIVES AND DNA MICROARRAY Saito, Isao (JP) 2007-04-04 EP disclosed
EP-1731525-A1 NUCLEOTIDE DERIVATIVES AND DNA MICROARRAY Saito, Isao (JP) 2006-12-13 EP disclosed
EP-1577318-A1 NUCLEOTIDE DERIVATIVES AND DNA MICROARRAY NGK INSULATORS, LTD. (JP) 2005-09-21 EP disclosed
US-20050059037-A1 Nucleotide derivative and DNA microarray ISAO SAITO (JP) 2005-03-17 US disclosed
US-20040186281-A1 Nucleotide derivative and DNA microarray ISAO SAITO (JP) 2004-09-23 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 (2 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-20040186281-A1 Nucleotide derivative and DNA microarray UNG, LIG4, DCTD TK1 144/4885LMNA 2865/4885SMN1; SMN2 3874/4885
US-20050059037-A1 Nucleotide derivative and DNA microarray UNG, LIG4, DCTD TK1 145/4885LMNA 2975/4885SMN1; SMN2 4075/4885

“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.