SCHEMBL3439446

SCHEMBL3439446

CN(C)c1ccc(-c2cn(Cc3ccc(/C=C/C(=O)NO)cc3)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.54
HDAC2 Q92769 11/20 0.54
HDAC1 Q13547 11/20 0.54
HDAC3 O15379 10/20 0.54
HDAC10 Q969S8 9/20 0.54
HDAC8 Q9BY41 9/20 0.54
HDAC4 P56524 7/20 0.54
HDAC7 Q8WUI4 7/20 0.54
HDAC11 Q96DB2 7/20 0.54
HDAC9 Q9UKV0 7/20 0.54
HDAC5 Q9UQL6 7/20 0.54
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1A1 P48729 1/20 0.47

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
SCHEMBL3439449 0.89 HDAC6 (0.64) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL1165108 0.89 HDAC4 (0.52) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL1165107 0.89 HDAC4 (0.52) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL2128745 0.87 HDAC2 (0.64) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL2128746 0.87 HDAC2 (0.64) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL3439447 0.86 HDAC2 (0.60) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL3439437 0.85 MEN1 (0.62) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL3439433 0.84 HDAC1 (0.69) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL1164798 0.83 HDAC1 (0.72) HDAC6HDAC2HDAC1HDAC3HDAC10
SCHEMBL2129886 0.83 HDAC1 (0.72) HDAC6HDAC2HDAC1HDAC3HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 HDAC6 8/4885HDAC2 4/4885HDAC1 1/4885

“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.