SCHEMBL210616

SCHEMBL210616

Nc1ccccc1NC(=O)c1ccc(CNc2nccc(NCCc3cccnc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.70
HDAC2 Q92769 5/20 0.70
HDAC3 O15379 5/20 0.70
NCOR1 O75376 3/20 0.70
CYP3A4 P08684 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
NCOR2 Q9Y618 2/20 0.70
KDM1A O60341 1/20 0.57
F3 P13726 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL212515 0.84 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR1CYP3A4
SCHEMBL210186 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC3NCOR1CYP3A4
Mocetinostat SCHEMBL29534132 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR1CYP3A4
Mocetinostat SCHEMBL157027 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR1CYP3A4
Mocetinostat SCHEMBL29454790 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR1CYP3A4
SCHEMBL8349333 0.82 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR1CYP3A4
Mocetinostat SCHEMBL29379811 0.81 HDAC1 (0.98) HDAC1HDAC2HDAC3NCOR1CYP3A4
SCHEMBL211002 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR1CYP3A4
SCHEMBL1060149 0.81 HDAC1 (0.65) HDAC1HDAC2HDAC3NCOR1CYP3A4
SCHEMBL210436 0.80 HDAC1 (0.58) HDAC1HDAC2HDAC3NCOR1CYP3A4

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 4 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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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.