SCHEMBL6968660

SCHEMBL6968660

CCCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(OCCN4CCNC(=O)C4)cc3C2)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.49
TRAP1 Q12931 7/20 0.46
HSP90B1 P14625 5/20 0.46
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL6972026 0.97 THRB (0.49) THRBTRAP1HSP90B1HSP90AA1HRH3
SCHEMBL6973176 0.95 THRB (0.46) THRBTRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL6972204 0.93 THRB (0.47) THRBTRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL6966411 0.92 TRAP1 (0.46) THRBTRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL6970071 0.92 TRAP1 (0.49) THRBTRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL6968600 0.89 TRAP1 (0.49) TRAP1HSP90B1HSP90AA1HSP90AB1HRH3
SCHEMBL6972422 0.88 TRAP1 (0.51) TRAP1HSP90B1HRH3
SCHEMBL6968630 0.88 TRAP1 (0.51) THRBTRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL6968753 0.87 TRAP1 (0.49) TRAP1HSP90B1HSP90AA1HSP90AB1HRH3
SCHEMBL6969469 0.87 TRAP1 (0.50) TRAP1HSP90B1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
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
WO-2009030316-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 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-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P THRB 2366/4885TRAP1 11/4885HSP90B1 4/4885

“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.