SCHEMBL4028449

SCHEMBL4028449

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.59
ERCC1 P07992 2/20 0.59
ERCC4 Q92889 2/20 0.59
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4027668 0.88 ERCC1 (0.47) FEN1ERCC1ERCC4TP53MAPT
SCHEMBL4029729 0.85 MAPT (0.47) FEN1ERCC1ERCC4TP53MAPT
SCHEMBL4028669 0.82 FEN1 (0.65) FEN1ERCC1ERCC4TP53MAPT
SCHEMBL4025290 0.79 ERCC1 (0.71) FEN1ERCC1ERCC4MAPTALDH1A1
SCHEMBL4029715 0.76 ERCC1 (0.63) FEN1ERCC1ERCC4ALDH1A1SMN1; SMN2
SCHEMBL4032042 0.75 ERCC1 (1.00) FEN1ERCC1ERCC4ALDH1A1SMN1; SMN2
SCHEMBL4026809 0.70 FEN1 (0.47) FEN1ERCC1ERCC4TP53MAPT
SCHEMBL4027671 0.70 ERCC1 (0.47) FEN1ERCC1ERCC4NPC1RAB9A
SCHEMBL4027126 0.70 FEN1 (0.47) FEN1ERCC1ERCC4TP53MAPT
SCHEMBL4029947 0.70 ERCC1 (0.47) FEN1ERCC1ERCC4TP53MAPT

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 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

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.