SCHEMBL4880459

SCHEMBL4880459

COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NO)C(=O)NCCc3c(-c4ccccc4)[nH]c4ccccc34)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 1.00
HDAC3 O15379 1/20 1.00
HDAC4 P56524 1/20 1.00
HDAC7 Q8WUI4 1/20 1.00
HDAC2 Q92769 1/20 1.00
HDAC8 Q9BY41 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00
HDAC5 Q9UQL6 1/20 1.00
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL4881243 0.94 HDAC1 (0.89) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4881211 0.94 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4887349 0.94 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4884100 0.94 HDAC1 (0.89) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5121520 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5125264 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8271505 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4886966 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4884032 0.93 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4882721 0.93 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2

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-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 US claimed
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 US disclosed
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 US disclosed
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 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-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC3 6/4885HDAC4 4/4885

“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.