SCHEMBL2495534

SCHEMBL2495534

CCNC(=O)O[C@H]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.56
HDAC2 Q92769 13/20 0.56
HDAC3 O15379 9/20 0.56
HDAC4 P56524 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
FLT3 P36888 1/20 0.46
KCNH2 Q12809 2/20 0.45

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
SCHEMBL2409642 1.00 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2493510 0.90 HDAC2 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14556141 0.90 HDAC2 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2408220 0.90 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2408217 0.90 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2407606 0.87 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2407610 0.87 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17416780 0.87 HDAC2 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2408126 0.87 HDAC2 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2406503 0.86 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 US disclosed
EP-2134680-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-12-23 EP disclosed
WO-2008109994-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-09-18 WO disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 US disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 US disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 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 (2 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-20080227826-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 5/4885HDAC3 4/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 5/4885HDAC3 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.