SCHEMBL6969423

SCHEMBL6969423

CCCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(OCCN(C)C)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 8/20 0.54
HSP90B1 P14625 5/20 0.54
MGLL Q99685 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 1/20 0.42
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2 P10415 3/20 0.40
BAD Q92934 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 1/20 0.39
BCL2L1 Q07817 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
SCHEMBL6970081 0.93 TRAP1 (0.47) TRAP1HSP90B1MGLLABHD6MEN1
SCHEMBL6969523 0.93 TRAP1 (0.47) TRAP1HSP90B1MGLLABHD6MEN1
SCHEMBL6968726 0.91 TRAP1 (0.46) TRAP1HSP90B1MEN1KMT2ABCL2
SCHEMBL3243617 0.89 HSP90B1 (0.43) TRAP1HSP90B1HSP90AA1HSP90AB1MEN1
SCHEMBL3246757 0.87 NAMPT (0.40) TRAP1HSP90B1MEN1KMT2ABCL2
SCHEMBL384058 0.85 TRAP1 (0.58) TRAP1HSP90B1MGLLABHD6HSP90AA1
SCHEMBL3772834 0.85 THRB (0.43) TRAP1HSP90B1MEN1KMT2ABCL2
SCHEMBL3244310 0.84 TRAP1 (0.62) TRAP1HSP90B1MGLLABHD6HSP90AA1
SCHEMBL382845 0.83 TRAP1 (0.57) TRAP1HSP90B1MGLLABHD6HSP90AA1
SCHEMBL3772822 0.80 TRAP1 (0.64) TRAP1HSP90B1MGLLABHD6HSP90AA1

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 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.