SCHEMBL4965597

SCHEMBL4965597

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)N[C@@H](CO)Cc4c[nH]cn4)cc3[nH]2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.47
PDE10A Q9Y233 6/20 0.40
F2 P00734 5/20 0.40
F10 P00742 5/20 0.40
PLG P00747 4/20 0.40
PLAU P00749 4/20 0.40
PLAT P00750 4/20 0.40
PRSS1 P07477 3/20 0.40
F7 P08709 2/20 0.39
PRSS2 P07478 1/20 0.39
F3 P13726 1/20 0.39
PRSS3 P35030 1/20 0.39
CARM1 Q86X55 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
F9 P00740 1/20 0.37
APLNR P35414 1/20 0.37
KLKB1 P03952 1/20 0.36

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
SCHEMBL4963266 1.00 HDAC6 (0.47) HDAC6PDE10AF2F10PLG
SCHEMBL4964929 0.90 HDAC6 (0.47) HDAC6PDE10AF2F10PLG
SCHEMBL1509583 0.89 HDAC6 (0.41) HDAC6PDE10AF2F10PLG
SCHEMBL1509537 0.89 HDAC6 (0.41) HDAC6PDE10AF2F10PLG
SCHEMBL4961386 0.89 HDAC6 (0.47) HDAC6F2F10PLGPLAU
SCHEMBL4963532 0.87 HDAC6 (0.50) HDAC6PDE10AF2F10PLG
SCHEMBL12834063 0.84 HDAC6 (0.40) HDAC6PDE10AHDAC3HDAC1HDAC2
SCHEMBL12834103 0.84 HDAC6 (0.40) HDAC6PDE10AHDAC3HDAC1HDAC2
SCHEMBL4963154 0.81 HDAC6 (0.60) HDAC6PDE10AF2F10PLG
SCHEMBL4965539 0.80 HDAC6 (0.61) HDAC6PDE10AF2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US claimed

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 HDAC6 541/4885PDE10A 2478/4885F2 2487/4885

“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.