SCHEMBL4028018

SCHEMBL4028018

Cn1c(-c2sccc2NC(=O)NCCc2ccccc2)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.49

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
TRPV1 Q8NER1 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SHMT2 P34897 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4028450 0.85 FEN1 (0.51) ERCC1FEN1ERCC4L3MBTL1KDM4E
SCHEMBL4027570 0.84 ERCC1 (0.55) ERCC1FEN1ERCC4KMT2ASMN1; SMN2
SCHEMBL4026082 0.83 ERCC1 (0.46) ERCC1FEN1ERCC4KMT2ASMN1; SMN2
SCHEMBL4029613 0.83 ERCC1 (0.47) ERCC1FEN1ERCC4ROCK2ROCK1
SCHEMBL4028016 0.82 FEN1 (0.58) ERCC1FEN1ERCC4ALDH1A1
SCHEMBL4030403 0.81 ERCC1 (0.56) ERCC1FEN1ERCC4KMT2AL3MBTL1
SCHEMBL4027165 0.81 ERCC1 (0.51) ERCC1FEN1ERCC4TRPV1ROCK2
Trifluoroacetic Acid SCHEMBL4027225 0.81 FEN1 (0.47) ERCC1FEN1ERCC4L3MBTL1KDM4E
SCHEMBL4026142 0.80 FEN1 (0.57) ERCC1FEN1ERCC4KMT2ASMN1; SMN2
SCHEMBL4025695 0.80 ERCC1 (0.49) ERCC1FEN1ERCC4KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.