SCHEMBL2842124

SCHEMBL2842124

CN(C)C(=O)c1ccc(-c2ccc(C(C(=O)NO)c3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.60
HDAC8 Q9BY41 5/20 0.60
HDAC6 Q9UBN7 5/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
HDAC3 O15379 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
ANPEP P15144 1/20 0.51
ALDH1A1 P00352 2/20 0.49
OPRD1 P41143 1/20 0.47
NCOR2 Q9Y618 1/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4534099 0.91 HDAC4 (0.53) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL20490619 0.88 HDAC8 (0.53) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL2842461 0.83 HDAC4 (0.81) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL2841852 0.82 HDAC4 (0.64) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL20490224 0.81 HDAC4 (0.54) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL20490227 0.80 HDAC4 (0.70) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL20490123 0.80 HDAC4 (0.70) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL7657327 0.79 POLB (0.65) ALDH1A1CYP3A4USP2CYP2C9KDM4E
SCHEMBL2840251 0.79 HDAC4 (0.59) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL2880991 0.79 HDAC4 (0.48) HDAC4HDAC8HDAC6HDAC7HDAC5

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
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC4 10/4885HDAC8 11/4885HDAC6 9/4885

“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.