SCHEMBL4030445

SCHEMBL4030445

COC(=O)c1nc(-c2sccc2C=O)n(C)c(=O)c1OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
MAPT P10636 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4031833 0.88 ELANE (0.31) ALDH1A1CYP1A2CYP2C9CYP2C19ERCC1
SCHEMBL4026532 0.87 ERCC1 (0.33) ALDH1A1CYP1A2CYP2C9CYP2C19ERCC1
SCHEMBL4032112 0.85 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19ERCC1
SCHEMBL4029963 0.84 ERCC1 (0.45) ALDH1A1ERCC1FEN1ERCC4MAPT
SCHEMBL4026329 0.83 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C9CYP2C19ERCC1
SCHEMBL4028964 0.74 FEN1 (0.59) ALDH1A1ERCC1FEN1ERCC4MAPT
SCHEMBL4028095 0.73 GABRP (0.32) ALDH1A1CYP1A2CYP2C9CYP2C19ERCC1
SCHEMBL4029058 0.73 ERCC1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19ERCC1
SCHEMBL4028309 0.72 ALDH1A1 (0.34) ALDH1A1ERCC1FEN1ERCC4MAPT
SCHEMBL4033336 0.72 ACKR3 (0.39) ALDH1A1MAPT

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 4 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
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 ALDH1A1 255/4885CYP1A2 383/4885CYP2C9 620/4885

“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.