SCHEMBL7208633

SCHEMBL7208633

CC(C)(C)OC(=O)N[C@H](CCCCN)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)OC(C)(C)C)cc2)c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC8 Q9BY41 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
SIRT5 Q9NXA8 1/20 0.46
KLKB1 P03952 1/20 0.46
PDF Q9HBH1 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
CTSK P43235 3/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL7210563 1.00 HDAC4 (0.53) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL6350473 0.88 HDAC4 (0.54) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL30730732 0.88 MMP2 (0.54) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5971347 0.87 KLKB1 (0.62) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5970876 0.86 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5970884 0.86 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7
Hydrochloric Acid SCHEMBL6710585 0.85 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL8377514 0.85 PDF (0.65) HDAC4HDAC1HDAC8HDAC3HDAC7
Hydrochloric Acid SCHEMBL5970420 0.85 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2925561 0.85 HDAC4 (0.64) HDAC4HDAC1HDAC8HDAC3HDAC7

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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK HDAC4 4652/4885HDAC1 3488/4885HDAC8 4710/4885

“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.