SCHEMBL3383398

SCHEMBL3383398

Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC3 O15379 16/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC4 P56524 11/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC7 Q8WUI4 10/20 1.00
HDAC10 Q969S8 10/20 1.00
HDAC11 Q96DB2 10/20 1.00
HDAC8 Q9BY41 10/20 1.00
HDAC9 Q9UKV0 10/20 1.00
HDAC5 Q9UQL6 10/20 1.00
NCOR2 Q9Y618 3/20 0.67
NAMPT P43490 1/20 0.62
MEF2D Q14814 1/20 0.56

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
SCHEMBL3380925 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL3383236 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL13783983 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL16016657 0.83 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL16022534 0.83 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC4HDAC6
Hydrochloric Acid SCHEMBL3383189 0.82 HDAC1 (0.91) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL3383553 0.81 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL16016614 0.80 HDAC4 (0.73) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL3381937 0.80 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL3379584 0.79 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US 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-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 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.