SCHEMBL6465128

SCHEMBL6465128

CC(C)(C)OC(=O)NCN(CCC(=O)O)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
SYK P43405 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
SLC29A1 Q99808 1/20 0.36
TMIGD3 P0DMS9 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
HTT P42858 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL6803680 0.89 TDP1 (0.40) TDP1HDAC1HDAC2SYKPDE4A
SCHEMBL9435466 0.83 CCNE2 (0.47) TDP1HDAC1HDAC2PDE4APDE4B
SCHEMBL6240613 0.80 JAK2 (0.41) TDP1HDAC1HDAC2SYKPDE4A
SCHEMBL12712246 0.80 CCNE2 (0.33) TDP1HDAC1HDAC2CCNE2CCNE1
SCHEMBL3130095 0.80 TDP1 (0.48) TDP1HDAC1HDAC2PDE4APDE4B
SCHEMBL23453050 0.79 TDP1 (0.40) TDP1HDAC1HDAC2PDE4APDE4B
SCHEMBL6463075 0.79 TDP1 (0.41) TDP1HDAC1HDAC2PDE4APDE4B
SCHEMBL6803674 0.79 HDAC1 (0.46) TDP1HDAC1HDAC2SYKPDE4A
SCHEMBL7843680 0.78 CCNE2 (0.39) HDAC1HDAC2SYKCCNE2CCNE1
SCHEMBL430210 0.78 CCNE2 (0.38) HDAC1HDAC2SYKCCNE2CCNE1

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-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor BUCHARDT OLE (DK) 2005-01-13 US disclosed
US-6713602-B1 COMPOUNDS THAT ARE NOT POLYNUCLEOTIDES YET WHICH BIND TO COMPLEMENTARY DNA AND RNA STRANDS MORE STRONGLY THE CORRESPONDING DNA BUCHARDT OLE (DK) 2004-03-30 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-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor POLRMT, CPSF7, RNGTT TDP1 356/4885HDAC1 4256/4885HDAC2 4610/4885

“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.