SCHEMBL25255902

SCHEMBL25255902

CNc1ccc2c(c1)CN(C(=O)c1c(OS(=O)(=O)c3ccc(C)cc3)cc(OS(=O)(=O)c3ccc(C)cc3)c(C)c1OC)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 3/20 0.42
KCNAB1 Q14722 3/20 0.42
ALDH1A1 P00352 7/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TP53 P04637 1/20 0.35
GFER P55789 1/20 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
SCHEMBL25214950 0.87 ALDH1A1 (0.39) KCNA1KCNAB1ALDH1A1HPGDHSD17B10
SCHEMBL25250913 0.83 KMT2A (0.40) ALDH1A1HPGDHSD17B10KMT2ALMNA
SCHEMBL30301742 0.81 HSP90AA1 (0.45) ALDH1A1HPGDHSD17B10KMT2ALMNA
SCHEMBL25212825 0.79 KMT2A (0.41) ALDH1A1HPGDHSD17B10KMT2ALMNA
SCHEMBL30368503 0.76 MAPT (0.40) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL30301793 0.76 MAPT (0.40) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL25214035 0.75 HSP90AA1 (0.40)
SCHEMBL30378029 0.75 HSP90AA1 (0.40)
SCHEMBL30368388 0.74 ALDH1A1 (0.49) ALDH1A1HPGDKMT2ALMNAHTT
SCHEMBL25669111 0.74 ALDH1A1 (0.49) ALDH1A1HPGDKMT2ALMNAHTT

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-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

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 KCNA1 2639/4885KCNAB1 3364/4885ALDH1A1 1114/4885

“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.