SCHEMBL4028040

SCHEMBL4028040

COC(=O)c1nc(-c2sccc2C=Cc2ccccc2)n(C)c(=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.45
FEN1 P39748 3/20 0.45
ERCC4 Q92889 3/20 0.45
RNASEH1 O60930 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 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
SCHEMBL4028038 1.00 ERCC1 (0.45) ERCC1FEN1ERCC4RNASEH1ALDH1A1
SCHEMBL4034573 0.90 ERCC1 (0.57) ERCC1FEN1ERCC4ALDH1A1MEN1
SCHEMBL4028792 0.90 ERCC1 (0.57) ERCC1FEN1ERCC4ALDH1A1MEN1
SCHEMBL4026532 0.86 ERCC1 (0.33) ERCC1FEN1ERCC4ALDH1A1CYP2C19
SCHEMBL4029963 0.85 ERCC1 (0.45) ERCC1FEN1ERCC4RNASEH1ALDH1A1
SCHEMBL4028795 0.83 ERCC1 (0.39) ERCC1FEN1ERCC4ALDH1A1MEN1
SCHEMBL4030167 0.79 ERCC1 (0.46) ERCC1FEN1ERCC4RNASEH1ALDH1A1
SCHEMBL6450711 0.78 ERCC1 (0.45) ERCC1FEN1ERCC4RNASEH1ALDH1A1
SCHEMBL22078872 0.77 ERCC1 (0.56) ERCC1FEN1ERCC4RNASEH1ALDH1A1
SCHEMBL4028581 0.76 ERCC1 (0.44) 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 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.