SCHEMBL25254449

SCHEMBL25254449

CC#CC(=O)Nc1cccc2c1CN(C(=O)c1c(O)cc(O)c(C)c1OCC1CCCCC1)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.35
VCP P55072 3/20 0.33
GRM5 P41594 1/20 0.33
TRAP1 Q12931 4/20 0.33
HSP90B1 P14625 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ADAM17 P78536 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
SCHEMBL30377316 1.00 NAMPT (0.35) NAMPTVCPGRM5TRAP1HSP90B1
SCHEMBL31281765 0.88 TRAP1 (0.35) NAMPTGRM5TRAP1HSP90B1SIRT2
SCHEMBL25599287 0.88 TRAP1 (0.35) NAMPTGRM5TRAP1HSP90B1SIRT2
SCHEMBL30377606 0.87 NAMPT (0.34) NAMPTGRM5TRAP1HSP90B1SIRT2
SCHEMBL25250614 0.87 NAMPT (0.34) NAMPTGRM5TRAP1HSP90B1SIRT2
SCHEMBL25254673 0.87 NAMPT (0.33) NAMPTVCPGRM5TRAP1HSP90B1
SCHEMBL30377635 0.87 NAMPT (0.33) NAMPTVCPGRM5TRAP1HSP90B1
SCHEMBL25599277 0.86 HSP90AA1 (0.39) NAMPTGRM5TRAP1HSP90B1SIRT2
SCHEMBL31282001 0.84 TRAP1 (0.36) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL25253982 0.83 EGFR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 US claimed
EP-4441031-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2024-10-09 EP claimed
WO-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 WO claimed
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 US disclosed
EP-4441031-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2024-10-09 EP disclosed
WO-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 WO disclosed
WO-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 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-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS PMS2, MSH2, RECQL NAMPT 3160/4885VCP 3450/4885GRM5 2856/4885

“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.