SCHEMBL212014

SCHEMBL212014

CN(C)CCOc1cc2[nH]c(C(S)c3ccc(C(=O)Nc4ccccc4N)cc3)nc2cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.44
CACNA1H O95180 1/20 0.39
HDAC2 Q92769 7/20 0.38
HDAC3 O15379 5/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 4/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL210571 0.84 MLKL (0.39)
SCHEMBL212875 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL210719 0.83 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL212015 0.81 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL211607 0.79 PRSS12 (0.45) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL1065500 0.77 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL1060856 0.77 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1081107 0.72 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL1066740 0.69 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL5794158 0.69 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC10HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CACNA1H 4651/4885HDAC2 10/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CACNA1H 4715/4885HDAC2 12/4885

“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.