SCHEMBL4027668

SCHEMBL4027668

COC(=O)c1nc(-c2cccs2)n(CCc2ccccc2Cl)c(=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.47
FEN1 P39748 2/20 0.47
ERCC4 Q92889 2/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL4028449 0.88 FEN1 (0.59) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4029729 0.82 MAPT (0.47) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL6695036 0.79 ERCC1 (0.43) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4028669 0.70 FEN1 (0.65) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4025290 0.69 ERCC1 (0.71) ERCC1FEN1ERCC4MAPTALDH1A1
SCHEMBL22078872 0.67 ERCC1 (0.56) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4026627 0.66 ERCC1 (0.56) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4032042 0.66 ERCC1 (1.00) ERCC1FEN1ERCC4ALDH1A1MEN1
SCHEMBL4029715 0.65 ERCC1 (0.63) ERCC1FEN1ERCC4ALDH1A1SMN1; SMN2
SCHEMBL3833902 0.64 ERCC1 (0.60) ERCC1FEN1ERCC4MAPTTP53

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.