SCHEMBL5697241

SCHEMBL5697241

COc1ccc(CC(=O)Nc2ccc3ccn(Cc4ccc(C(=O)OC(C)(C)C)cc4)c(=O)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC8 Q9BY41 3/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
LCK P06239 1/20 0.43
NLRP3 Q96P20 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
SCHEMBL5697139 0.88 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC8LMNA
SCHEMBL6168393 0.81 LMNA (0.46) HDAC6HDAC1HDAC3HDAC8LMNA
SCHEMBL5697068 0.80 NTSR1 (0.52) HDAC6HDAC1HDAC3LMNAMAPT
SCHEMBL6704286 0.78 EPHX2 (0.44) HDAC6HDAC1HDAC3HDAC8LMNA
SCHEMBL6273198 0.78 HDAC3 (0.54) HDAC6HDAC1HDAC3LMNAMAPT
SCHEMBL5697085 0.77 PSMB1 (0.46) HDAC6HDAC1HDAC3HDAC8LMNA
SCHEMBL5697046 0.77 SIRT2 (0.39) HDAC6HDAC1HDAC3HDAC8LMNA
SCHEMBL5922977 0.77 MMP13 (0.56)
SCHEMBL5697269 0.76 GAA (0.47) HDAC6HDAC1HDAC3LMNAMAPT
SCHEMBL8345034 0.75 CRHBP (0.41) HDAC6HDAC1HDAC3HDAC8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2006-11-02 US disclosed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
EP-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-07-22 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 (3 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-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 HDAC6 40/4885HDAC1 33/4885HDAC3 39/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 HDAC6 1154/4885HDAC1 926/4885HDAC3 380/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 HDAC6 39/4885HDAC1 30/4885HDAC3 41/4885

“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.