SCHEMBL2404792

SCHEMBL2404792

NC(=O)OC1CCN(c2ncc(C(=O)Nc3ccccc3N)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.48
DGAT2 Q96PD7 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPKAPK3 Q16644 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
SCHEMBL2406503 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL4410686 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8157053 0.79 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2410017 0.76 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8CYP2C9
SCHEMBL2410014 0.76 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8CYP2C9
SCHEMBL17529213 0.76 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL5226783 0.76 HDAC1 (0.59) HDAC1HDAC3HDAC2
SCHEMBL2407610 0.75 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2407606 0.75 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL28624613 0.75 KDM4E (0.50)

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 1/4885DGAT2 1888/4885HDAC3 4/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 HDAC1 1/4885DGAT2 1888/4885HDAC3 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.