SCHEMBL8235017

SCHEMBL8235017

O=C(CCCCCC/C(=N\O)c1ccc(-c2ccccc2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 11/20 1.00
HDAC1 Q13547 14/20 0.69
HDAC2 Q92769 8/20 0.63
HDAC3 O15379 6/20 0.63
HDAC6 Q9UBN7 5/20 0.63
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63

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
SCHEMBL13783904 1.00 HDAC8 (1.00) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL3383908 0.91 HDAC8 (0.83) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL3383906 0.91 HDAC8 (0.83) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL6387219 0.86 HDAC8 (0.75) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL6387212 0.86 HDAC8 (0.75) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL1520838 0.82 HDAC1 (1.00) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL3383159 0.81 HDAC8 (1.00) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL3383152 0.81 HDAC8 (1.00) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL3383163 0.81 HDAC8 (1.00) HDAC8HDAC1HDAC2HDAC3HDAC6
SCHEMBL8228945 0.79 HDAC1 (0.73) HDAC8HDAC1HDAC2HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759400-B2 Histone deacetylase inhibitors for enhancing activity of antifungal agents METHYLGENE INC. (CA) 2014-06-24 US disclosed
US-8759400-B2 Histone deacetylase inhibitors for enhancing activity of antifungal agents METHYLGENE INC. (CA) 2014-06-24 US disclosed
WO-2012021982-A1 ANTIFUNGAL AGENTS AND USES THEREOF METHYLGENE INC. (CA) 2012-02-23 WO disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents 92229129 QUEBEC INC. (CA) 2007-08-23 US disclosed
US-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents 92229129 QUEBEC INC. (CA) 2007-08-23 US disclosed
WO-2007072179-A2 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE, INC. (CA) 2007-06-28 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-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents HDAC1, HDAC5, HDAC7 HDAC8 6/4885HDAC1 1/4885HDAC2 4/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC8 9/4885HDAC1 1/4885HDAC2 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.