SCHEMBL210432

SCHEMBL210432

COc1ccc(CN2CCc3cc(C(=O)Nc4ccccc4N)ccc32)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.58
HDAC2 Q92769 2/20 0.55
MAPT P10636 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.49
ABCB1 P08183 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 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
SCHEMBL210636 0.91 HDAC1 (0.58) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL5583470 0.80 HDAC1 (0.52) HDAC1HDAC2MAPTHDAC6HDAC3
SCHEMBL17165102 0.79 HDAC1 (0.65) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL18572546 0.79 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL12933500 0.76 HDAC1 (0.57) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL452792 0.74 HDAC1 (0.68) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL1060645 0.74 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL24890948 0.73 HDAC3 (0.55) HDAC1HDAC2MAPTHDAC6HDAC3
SCHEMBL1064557 0.72 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL450048 0.71 HDAC1 (0.61) HDAC1HDAC2HDAC6HDAC3HDAC8

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 7 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-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

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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885MAPT 3612/4885

“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.