SCHEMBL469372

SCHEMBL469372

Nc1nc(=O)c2ncn(CC(=O)O)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TK1 P04183 1/20 0.44
GAA P10253 1/20 0.43
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
PNP P00491 6/20 0.41
HPRT1 P00492 4/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL16167797 0.84 GAA (0.61) KDM4EALDH1A1TDP1TK1GAA
SCHEMBL28123382 0.80 TK1 (0.60) TK1GAACSNK2A2CSNK2A1KMT2A
Tiviciclovir SCHEMBL15531845 0.78 BLM (0.45) ALDH1A1TK1GAAKMT2ALMNA
SCHEMBL455494 0.77 PNP (0.64) ALDH1A1TK1KMT2ALMNAPNP
Acyclovir SCHEMBL40723 0.76 PNP (0.67) ALDH1A1TK1KMT2ALMNAPNP
Penciclovir SCHEMBL3494 0.76 TK1 (0.49) ALDH1A1TK1GAAKMT2ALMNA
SCHEMBL18190780 0.75 PNP (0.47) ALDH1A1TK1GAAKMT2ALMNA
Ganciclovir SCHEMBL3034 0.75 BLM (0.67) ALDH1A1TK1GAAKMT2ALMNA
SCHEMBL454682 0.75 ALDH1A1 (0.71) KDM4EALDH1A1TDP1CSNK2A2CSNK2A1
Ganciclovir SCHEMBL147839 0.74 BLM (0.65) ALDH1A1TK1GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US disclosed
US-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-03-15 US disclosed
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 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-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 KDM4E 4577/4885ALDH1A1 4860/4885TDP1 3869/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 KDM4E 4577/4885ALDH1A1 4860/4885TDP1 3869/4885

“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.