SCHEMBL6971719

SCHEMBL6971719

CN(Cc1ccccc1)C(=O)c1cc(C(=O)N2Cc3ccc(OCCN4CCCCC4)cc3C2)c(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.50
HSP90B1 P14625 2/20 0.50
MGLL Q99685 2/20 0.47
ABHD6 Q9BV23 2/20 0.47
BCHE P06276 6/20 0.47
ACHE P22303 6/20 0.47
HRH3 Q9Y5N1 5/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL6970191 0.99 TRAP1 (0.51) TRAP1HSP90B1MGLLABHD6BCHE
SCHEMBL6967371 0.96 BCHE (0.52) TRAP1HSP90B1BCHEACHEHRH3
SCHEMBL6969499 0.95 TRAP1 (0.51) TRAP1HSP90B1BCHEACHEHRH3
SCHEMBL6969597 0.94 TRAP1 (0.51) TRAP1HSP90B1MAOBMAOAHSP90AA1
SCHEMBL6969594 0.92 TRAP1 (0.49) TRAP1HSP90B1MAOBMAOAHSP90AA1
SCHEMBL6970454 0.90 TRAP1 (0.51) TRAP1HSP90B1BCHEACHEHRH3
SCHEMBL6971764 0.88 TRAP1 (0.49) TRAP1HSP90B1BCHEACHEHRH3
SCHEMBL6967448 0.88 TRAP1 (0.46) TRAP1HSP90B1MAOBMAOAHSP90AA1
SCHEMBL6971019 0.87 MGLL (0.51) TRAP1HSP90B1MGLLABHD6HRH3
SCHEMBL6969200 0.87 TRAP1 (0.46) TRAP1HSP90B1MGLLABHD6HRH3

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
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 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-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P TRAP1 11/4885HSP90B1 4/4885MGLL 4697/4885

“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.