SCHEMBL13041232

SCHEMBL13041232

CNC(C)(C)c1nc(C(=O)OC)c(O)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.50
FEN1 P39748 3/20 0.50
ERCC4 Q92889 3/20 0.50
RNASEH1 O60930 1/20 0.50
NPSR1 Q6W5P4 2/20 0.39
KDM4C Q9H3R0 1/20 0.37
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PADI4 Q9UM07 1/20 0.33
DNASE1 P24855 1/20 0.33

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
SCHEMBL12432516 0.87 ERCC1 (0.49) ERCC1FEN1ERCC4RNASEH1NPSR1
SCHEMBL17749053 0.86 ERCC1 (0.48) ERCC1FEN1ERCC4RNASEH1NPSR1
SCHEMBL18832068 0.78 ERCC1 (0.55) ERCC1FEN1ERCC4RNASEH1NPSR1
SCHEMBL15069797 0.77 KCNE1 (0.41) ERCC1FEN1ERCC4RNASEH1
SCHEMBL12697348 0.74 ERCC1 (0.57) ERCC1FEN1ERCC4RNASEH1NPSR1
SCHEMBL8267930 0.74 RNASEH1 (0.56) ERCC1FEN1ERCC4RNASEH1ALDH1A1
SCHEMBL13041238 0.71 NPSR1 (0.42) ERCC1FEN1ERCC4RNASEH1NPSR1
SCHEMBL13041261 0.71 ERCC1 (0.57) ERCC1FEN1ERCC4
SCHEMBL5485304 0.71 KDM4E (0.42) ERCC1FEN1ERCC4RNASEH1KDM4E
SCHEMBL13302558 0.70 RNASEH1 (0.53) ERCC1FEN1ERCC4RNASEH1ALDH1A1

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-8852632-B2 Pharmaceutical formulation containing a release rate controlling composition MERCK SHARP & DOHME CORP. (US) 2014-10-07 US disclosed
US-8357798-B2 Process for preparing N-alkylated hydroxypyrimidinone compounds MERCK SHARP & DOHME CORP. (US) 2013-01-22 US disclosed
US-20100280244-A1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES MERCK SHARP & DOHME LLC 2010-11-04 US disclosed
US-20100249410-A1 PROCESS FOR PREPARING N-ALKYLATED HYDROXYPYRIMIDINONE COMPOUNDS MERCK SHARP & DOHME LLC 2010-09-30 US disclosed
US-7754731-B2 Potassium salt of an HIV integrase inhibitor MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20070292504-A1 Pharmaceutical formulation containing a release rate controlling composition MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-20070259894-A1 Use of Atazanavir for Improving the Pharmacokinetics of Drugs Metabolized by Ugt1a1 MERCK SHARP & DOHME CORP. 2007-11-08 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 (4 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-20100280244-A1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES ALKBH3, DTYMK, DUT ERCC1 3412/4885FEN1 863/4885ERCC4 3052/4885
US-20070259894-A1 Use of Atazanavir for Improving the Pharmacokinetics of Drugs Metabolized by Ugt1a1 UGT1A1, UGT1A3, UGT1A9 ERCC1 1640/4885FEN1 241/4885ERCC4 897/4885
US-20100249410-A1 PROCESS FOR PREPARING N-ALKYLATED HYDROXYPYRIMIDINONE COMPOUNDS IMPA1, KCNJ1, KCNJ11 ERCC1 1359/4885FEN1 261/4885ERCC4 749/4885
US-20070292504-A1 Pharmaceutical formulation containing a release rate controlling composition REV1, POLR2H, POLR2E ERCC1 1212/4885FEN1 663/4885ERCC4 1411/4885

“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.