SCHEMBL2410399

SCHEMBL2410399

Nc1ccccc1NC(=O)c1ccc(N2CCC(NC(=O)O)C2)nc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.65
HDAC3 O15379 1/20 0.57
CYP2C9 P11712 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
MAPKAPK3 Q16644 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL2409736 0.85 HDAC1 (0.59) HDAC1HDAC3CYP2C9SLC6A4SLC6A3
SCHEMBL5067786 0.85 HDAC1 (0.59) HDAC1HDAC3CYP2C9SLC6A4SLC6A3
SCHEMBL2409741 0.85 HDAC1 (0.59) HDAC1HDAC3CYP2C9SLC6A4SLC6A3
SCHEMBL5065238 0.84 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8
SCHEMBL17416775 0.84 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8
SCHEMBL8161162 0.81 HDAC1 (0.70) HDAC1HDAC3HDAC2
SCHEMBL5043150 0.80 HDAC1 (0.75) HDAC1
SCHEMBL2494848 0.79 HDAC1 (0.56) HDAC1HDAC3CYP2C9SLC6A4SLC6A3
SCHEMBL4540246 0.79 HDAC1 (0.83) HDAC1HDAC3CYP2C9SLC6A4SLC6A3
SCHEMBL4541792 0.79 HDAC1 (0.94) HDAC1HDAC3CYP2C9SLC6A4SLC6A3

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-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-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 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 1/4885HDAC3 4/4885CYP2C9 4659/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 4/4885CYP2C9 4659/4885

“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.