SCHEMBL210768

SCHEMBL210768

N#Cc1csc(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.50
HDAC2 Q92769 7/20 0.49
HDAC3 O15379 7/20 0.49
NCOR2 Q9Y618 2/20 0.49
HDAC6 Q9UBN7 2/20 0.48
MAPK1 P28482 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
NCOR1 O75376 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 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
SCHEMBL210743 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL3753090 0.78 HDAC1 (0.68) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1064188 0.76 HDAC1 (0.50) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL210055 0.76 TAS2R14 (0.40)
SCHEMBL211203 0.75 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL2734094 0.74 HDAC1 (0.55) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL251064 0.74 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2
SCHEMBL211600 0.73 HDAC1 (0.55) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL8279067 0.73 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL210451 0.73 HDAC1 (0.47) HDAC1HDAC2HDAC3NCOR2HDAC6

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 12 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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
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-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 1/4885HDAC2 10/4885HDAC3 4/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 12/4885HDAC3 5/4885

“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.