SCHEMBL5756285

SCHEMBL5756285

COc1cccc2sc(C3(O)CCN(C(=O)OC(C)(C)C)C(C)C3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SLC9A1 P19634 2/20 0.36
CA2 P00918 1/20 0.34
NR1H2 P55055 3/20 0.34
RXRA P19793 2/20 0.34
NR1H3 Q13133 2/20 0.34
HCRTR1 O43613 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL5757976 0.90 ALDH1A1 (0.37) NR1H2RXRANR1H3JAK2JAK1
SCHEMBL5761497 0.88 STS (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5758726 0.87 F2RL3 (0.33) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL5760468 0.87 JAK2 (0.35) SLC9A1NR1H2RXRANR1H3JAK2
SCHEMBL5758725 0.86 SLC9A1 (0.36) SLC9A1NR1H2RXRANR1H3JAK2
SCHEMBL7099621 0.84 HDAC1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5756452 0.80 CHRNA7 (0.39) CA2HSD11B1NPC1RAB9A
SCHEMBL5758939 0.80 ACACB (0.35) NR1H2RXRANR1H3HCRTR1PDE4A
SCHEMBL5755140 0.80 ACACB (0.36) NR1H2RXRANR1H3JAK2JAK1
SCHEMBL5760910 0.79 CHRNA7 (0.36) NR1H2RXRANR1H3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 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 (2 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 HDAC3 322/4885HDAC4 1204/4885HDAC1 278/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F HDAC3 102/4885HDAC4 240/4885HDAC1 77/4885

“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.