SCHEMBL6970896

SCHEMBL6970896

CN(Cc1cccs1)C(=O)c1cc(C(=O)N2Cc3ccc(OCCN4CCNC(=O)C4)cc3C2)c(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 7/20 0.42
HSP90B1 P14625 6/20 0.42
THRB P10828 2/20 0.39
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 3/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAOB P27338 1/20 0.34
ABHD6 Q9BV23 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
SCHEMBL6967894 0.96 TRAP1 (0.43) TRAP1HSP90B1THRBHSP90AA1HSP90AB1
SCHEMBL6967738 0.93 TRAP1 (0.44) TRAP1HSP90B1HSP90AA1HSP90AB1HRH3
SCHEMBL6967891 0.90 TRAP1 (0.47) TRAP1HSP90B1HSP90AA1HSP90AB1HRH3
SCHEMBL6970630 0.89 HRH3 (0.49) TRAP1HSP90B1HSP90AA1HSP90AB1HRH3
SCHEMBL6971311 0.89 TRAP1 (0.41) TRAP1HSP90B1THRBHSP90AA1HSP90AB1
SCHEMBL6967448 0.88 TRAP1 (0.46) TRAP1HSP90B1THRBHSP90AA1HSP90AB1
SCHEMBL6971561 0.88 HRH3 (0.50) TRAP1HSP90B1HRH3MAOBABHD6
SCHEMBL6967121 0.87 TRAP1 (0.42) TRAP1HSP90B1THRBHSP90AA1HSP90AB1
SCHEMBL6973176 0.86 THRB (0.46) TRAP1HSP90B1THRBHSP90AA1HSP90AB1
SCHEMBL6970096 0.86 HRH3 (0.49) TRAP1HSP90B1HSP90AA1HSP90AB1HRH3

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 4/4885THRB 2366/4885

“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.