SCHEMBL418380

SCHEMBL418380

COC(=O)c1nc(C2(N(C)C(=O)OC(C)(C)C)CCC(COCc3ccccc3)OC2)[nH]c(=O)c1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.41
ERCC1 P07992 2/20 0.37
FEN1 P39748 2/20 0.37
ERCC4 Q92889 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 2/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PTPN1 P18031 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL418381 1.00 RNASEH1 (0.41) RNASEH1ERCC1FEN1ERCC4L3MBTL1
SCHEMBL10120972 0.90 L3MBTL1 (0.34) RNASEH1L3MBTL1LMNAPARP1PARP2
SCHEMBL420508 0.90 RNASEH1 (0.43) RNASEH1ERCC1FEN1ERCC4L3MBTL1
SCHEMBL420509 0.90 RNASEH1 (0.43) RNASEH1ERCC1FEN1ERCC4L3MBTL1
SCHEMBL420507 0.90 RNASEH1 (0.43) RNASEH1ERCC1FEN1ERCC4L3MBTL1
SCHEMBL420566 0.86 NAMPT (0.33) RNASEH1ERCC1FEN1ERCC4NAMPT
SCHEMBL10143672 0.86 NAMPT (0.33) RNASEH1ERCC1FEN1ERCC4NAMPT
SCHEMBL420565 0.86 NAMPT (0.33) RNASEH1ERCC1FEN1ERCC4NAMPT
SCHEMBL420021 0.80 RNASEH1 (0.49) RNASEH1ERCC1FEN1ERCC4ACHE
SCHEMBL420020 0.80 RNASEH1 (0.49) RNASEH1ERCC1FEN1ERCC4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 RNASEH1 315/4885ERCC1 1084/4885FEN1 423/4885

“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.