SCHEMBL4031399

SCHEMBL4031399

Cn1c(-c2occc2C=Cc2ccccc2)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
P2RX3 P56373 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GFER P55789 1/20 0.35
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34

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
SCHEMBL4031394 1.00 ERCC1 (0.49) ERCC1FEN1ERCC4P2RX3NPC1
SCHEMBL4034683 0.84 NPC1 (0.36) ERCC1FEN1ERCC4P2RX3NPC1
SCHEMBL4028792 0.79 ERCC1 (0.57) ERCC1FEN1ERCC4P2RX3NPC1
SCHEMBL4034573 0.79 ERCC1 (0.57) ERCC1FEN1ERCC4P2RX3NPC1
SCHEMBL4024972 0.78 ADORA3 (0.39) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL4030138 0.73 ERCC1 (0.57) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL6633396 0.70 PTGS1 (0.34) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4028040 0.70 ERCC1 (0.45) ERCC1FEN1ERCC4P2RX3NPC1
SCHEMBL4028038 0.70 ERCC1 (0.45) ERCC1FEN1ERCC4P2RX3NPC1
SCHEMBL4024935 0.68 ERCC1 (0.50) ERCC1FEN1ERCC4P2RX3KDM4E

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 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.