SCHEMBL209935

SCHEMBL209935

N#Cc1cc(Cc2ccc(C(=O)Nc3ccccc3N)cc2)sc1NC(=O)OCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.53
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAP2K1 Q02750 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
BCL3 P20749 1/20 0.41
MAPK14 Q16539 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL212291 0.84 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL209936 0.83 MAP2K1 (0.41) HDAC1MAP2K1ALDH1A1
SCHEMBL1064188 0.80 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL251064 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC2
SCHEMBL211203 0.78 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2733655 0.78 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL210743 0.77 HDAC1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL210451 0.76 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2759555 0.76 MAP2K1 (0.46) MAP2K1ALDH1A1GAARAB9A
SCHEMBL10272761 0.74 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2

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 1/4885HDAC3 4/4885HDAC4 8/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 5/4885HDAC4 6/4885

“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.