SCHEMBL454682

SCHEMBL454682

O=C(O)Cn1cnc2c(=O)nc[nH]c21

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
KDM4E B2RXH2 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
HSD17B10 Q99714 2/20 0.49
CSNK2A2 P19784 2/20 0.45
CSNK2A1 P68400 2/20 0.45
LMNA P02545 1/20 0.44
HDAC6 Q9UBN7 2/20 0.40
HPRT1 P00492 4/20 0.38
ADORA2B P29275 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C19 P33261 1/20 0.36
GABRR1 P24046 1/20 0.36

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
SCHEMBL28275704 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1HSD17B10HPRT1
SCHEMBL5616443 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1HSD17B10HPRT1
SCHEMBL3306016 0.76 PNP (0.48) ALDH1A1KDM4ETDP1HSD17B10LMNA
SCHEMBL455645 0.75 HPRT1 (0.62) ALDH1A1KDM4ETDP1LMNAHPRT1
SCHEMBL469372 0.75 KDM4E (0.48) ALDH1A1KDM4ETDP1HSD17B10CSNK2A2
SCHEMBL7147173 0.75 AHCY (0.45) ALDH1A1KDM4ETDP1HSD17B10LMNA
SCHEMBL2639252 0.73 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1HSD17B10HPRT1
SCHEMBL7037922 0.72 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1HSD17B10HPRT1
Leteprinim SCHEMBL358492 0.70 HSD17B10 (0.42) ALDH1A1KDM4ETDP1HSD17B10LMNA
SCHEMBL4404534 0.69 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1HSD17B10HPRT1

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-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US disclosed
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-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
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 US disclosed
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO 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 ALDH1A1 4860/4885KDM4E 4577/4885TDP1 3869/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 ALDH1A1 4860/4885KDM4E 4577/4885TDP1 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.