SCHEMBL4028669

SCHEMBL4028669

O=C(O)c1nc(-c2cccs2)n(Cc2ccccc2)c(=O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.65
ERCC1 P07992 3/20 0.65
ERCC4 Q92889 3/20 0.65
ALDH1A1 P00352 8/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 5/20 0.51
LMNA P02545 3/20 0.51
USP2 O75604 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 2/20 0.50
CPB1 P15086 1/20 0.49
ERCC5 P28715 2/20 0.48
KMT2A Q03164 4/20 0.47

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
SCHEMBL4025290 0.85 ERCC1 (0.71) FEN1ERCC1ERCC4ALDH1A1CYP1A2
SCHEMBL4028670 0.83 ALDH1A1 (0.50) FEN1ERCC1ERCC4ALDH1A1CYP1A2
SCHEMBL4029715 0.82 ERCC1 (0.63) FEN1ERCC1ERCC4ALDH1A1CYP1A2
SCHEMBL4028449 0.82 FEN1 (0.59) FEN1ERCC1ERCC4ALDH1A1CYP1A2
SCHEMBL4032042 0.79 ERCC1 (1.00) FEN1ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL2916266 0.73 HSD11B1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL18874437 0.72 ALDH1A1 (0.47) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL4027668 0.70 ERCC1 (0.47) FEN1ERCC1ERCC4ALDH1A1CYP1A2
SCHEMBL28480075 0.69 CPB1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL29412010 0.69 CPB1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2D6

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 6 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 claimed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US claimed
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
EP-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 WO 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 FEN1 343/4885ERCC1 3181/4885ERCC4 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.