SCHEMBL469371

SCHEMBL469371

Nc1ncc2ncn(CC=O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ADRA1A P35348 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSP90AA1 P07900 5/20 0.44
HSP90AB1 P08238 5/20 0.44
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
TK1 P04183 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.31
AHCY P23526 4/20 0.31
MET P08581 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL4551666 0.84 HDAC6 (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL9763828 0.80 AHCY (0.52) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL9763826 0.80 AHCY (0.52) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL9763834 0.80 AHCY (0.52) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL9764166 0.79 AHCY (0.53) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL14642669 0.78 CDK1 (0.56) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL30052297 0.76 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL452417 0.76 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL3151968 0.75 KDM4E (0.55) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL3157542 0.75 HSD17B10 (0.52) HDAC6KDM4EALDH1A1HPGDADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC6 2413/4885KDM4E 4577/4885ALDH1A1 4860/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 HDAC6 2413/4885KDM4E 4577/4885ALDH1A1 4860/4885

“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.