SCHEMBL4579303

SCHEMBL4579303

COCC1CCCN1Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC2 Q92769 4/20 0.47
HDAC3 O15379 2/20 0.46
KCNH2 Q12809 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
S1PR1 P21453 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL14155889 0.91 HDAC1 (0.52) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL4579157 0.90 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL4579152 0.90 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL4579312 0.80 HDAC8 (0.56) HDAC1HDAC8HDAC6HTR1DHTR1B
SCHEMBL4580902 0.78 DRD4 (0.57) HDAC1HDAC3KCNH2
SCHEMBL4579564 0.77 HDAC1 (0.64) HDAC1HDAC3KCNH2
SCHEMBL4579763 0.77 HDAC1 (0.60) HDAC1HDAC2HDAC3KCNH2
SCHEMBL4579759 0.77 HDAC1 (0.60) HDAC1HDAC2HDAC3KCNH2
SCHEMBL3642454 0.77 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL4669167 0.76 HDAC1 (0.59) HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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 (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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC6 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.