SCHEMBL4580101

SCHEMBL4580101

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC(N)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.64
HDAC1 Q13547 11/20 0.64
HDAC3 O15379 5/20 0.64
KCNH2 Q12809 1/20 0.55
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL4578247 0.94 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4580625 0.94 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4578242 0.94 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4579437 0.89 HDAC2 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4580035 0.89 HDAC2 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4580031 0.89 HDAC2 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4577831 0.89 HDAC2 (0.70) HDAC2HDAC1HDAC3KCNH2HDAC4
SCHEMBL4581071 0.87 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4578500 0.87 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4578489 0.87 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2

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
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US claimed
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
US-20090124631-A1 Combination Therapy METHYLGENE, INC. (CA) 2009-05-14 US disclosed
US-20090124631-A1 Combination Therapy METHYLGENE, INC. (CA) 2009-05-14 US disclosed
WO-2009033281-A1 CANCER COMBINATION THERAPY WITH A SELECTIVE INHIBITOR OF HISTONE DEACETYLASE HDAC1, HDAC2 AND/OR HDAC3 AND A MICROTUBULE STABILIZER METHYLGENE INC. (CA) 2009-03-19 WO 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 (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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC2 5/4885HDAC1 1/4885HDAC3 3/4885
US-20090124631-A1 Combination Therapy HDAC6, HDAC1, HDAC2 HDAC2 3/4885HDAC1 2/4885HDAC3 7/4885

“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.