SCHEMBL6972228

SCHEMBL6972228

Cc1ccc(CN(C)C(=O)c2cc(C(=O)N3Cc4ccc(OCCN5CCCC5)cc4C3)c(O)cc2O)o1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 6/20 0.44
HSP90B1 P14625 5/20 0.44
ABHD6 Q9BV23 3/20 0.44
MGLL Q99685 2/20 0.44
HRH3 Q9Y5N1 3/20 0.42
MAOB P27338 6/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL6972334 0.99 MGLL (0.45) TRAP1HSP90B1ABHD6MGLLHRH3
SCHEMBL6968490 0.96 HRH3 (0.47) TRAP1HSP90B1HRH3MAOB
SCHEMBL6970506 0.95 HRH3 (0.49) TRAP1HSP90B1HRH3MAOB
SCHEMBL6970516 0.95 TRAP1 (0.44) TRAP1HSP90B1ABHD6MGLLHRH3
SCHEMBL6972797 0.93 TRAP1 (0.43) TRAP1HSP90B1ABHD6MGLLHRH3
SCHEMBL6970559 0.92 TRAP1 (0.45) TRAP1HSP90B1HRH3MAOBHSP90AA1
SCHEMBL6971633 0.89 TRAP1 (0.43) TRAP1HSP90B1HRH3MAOBHSP90AA1
SCHEMBL6971699 0.89 TRAP1 (0.41) TRAP1HSP90B1ABHD6MGLLHSP90AA1
SCHEMBL6971364 0.89 TRAP1 (0.57) TRAP1HSP90B1ABHD6MGLLHSP90AA1
SCHEMBL6972235 0.88 TRAP1 (0.58) TRAP1HSP90B1ABHD6MGLLHSP90AA1

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 4/4885ABHD6 4410/4885

“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.