SCHEMBL6970807

SCHEMBL6970807

CCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(OCCCNC)cc3C2)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 10/20 0.53
HSP90B1 P14625 6/20 0.53
HSP90AA1 P07900 8/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSP90AB1 P08238 3/20 0.42
ABHD6 Q9BV23 2/20 0.42
MGLL Q99685 1/20 0.42
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC8 Q9BY41 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
SCHEMBL6973151 0.97 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1KDM4EPOLB
SCHEMBL3764034 0.96 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1KDM4EPOLB
SCHEMBL3242702 0.94 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1KDM4EPOLB
SCHEMBL6972616 0.89 TRAP1 (0.57) TRAP1HSP90B1HSP90AA1HSP90AB1ABHD6
SCHEMBL6968644 0.89 TRAP1 (0.65) TRAP1HSP90B1HSP90AA1HSP90AB1ABHD6
SCHEMBL6972730 0.88 TRAP1 (0.56) TRAP1HSP90B1HSP90AA1HSP90AB1ABHD6
SCHEMBL6972060 0.88 TRAP1 (0.56) TRAP1HSP90B1HSP90AA1HSP90AB1ABHD6
SCHEMBL3766588 0.88 TRAP1 (0.51) TRAP1HSP90B1HSP90AA1HSP90AB1ABHD6
SCHEMBL6968649 0.87 TRAP1 (0.55) TRAP1HSP90B1HSP90AA1HSP90AB1ABHD6
SCHEMBL6970208 0.87 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1KDM4EPOLB

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 4/4885HSP90AA1 2/4885

“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.