SCHEMBL4028581

SCHEMBL4028581

COC(=O)c1nc(-c2sccc2[N+](=O)[O-])n(C)c(=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.44
FEN1 P39748 2/20 0.44
ERCC4 Q92889 2/20 0.44
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
SLC10A6 Q3KNW5 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
USP10 Q14694 1/20 0.35
PLK1 P53350 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RNASEH1 O60930 1/20 0.34

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
SCHEMBL4027437 0.89 FEN1 (0.57) ERCC1FEN1ERCC4LMNAMAPT
SCHEMBL4028108 0.85 ALDH1A1 (0.35) ERCC1FEN1ERCC4ALDH1A1LMNA
SCHEMBL4026329 0.84 ALDH1A1 (0.35) ERCC1FEN1ERCC4ALDH1A1LMNA
SCHEMBL4030167 0.83 ERCC1 (0.46) ERCC1FEN1ERCC4ALDH1A1MAPT
SCHEMBL4026719 0.83 ALDH1A1 (0.34) ERCC1FEN1ERCC4ALDH1A1LMNA
SCHEMBL4031769 0.81 FEN1 (0.38) ERCC1FEN1ERCC4ALDH1A1LMNA
SCHEMBL4029963 0.81 ERCC1 (0.45) ERCC1FEN1ERCC4ALDH1A1MAPT
SCHEMBL13646996 0.77 ALDH1A1 (0.40) ERCC1FEN1ERCC4ALDH1A1LMNA
SCHEMBL4033473 0.76 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1
SCHEMBL6450711 0.76 ERCC1 (0.45) ERCC1FEN1ERCC4ALDH1A1MAPT

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
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ERCC1 3181/4885FEN1 343/4885ERCC4 1663/4885

“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.