SCHEMBL1062995

SCHEMBL1062995

Nc1ccccc1NC(=O)C=Cc1ccc(NC(=O)OCc2cccnc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.81
MEF2D Q14814 2/20 0.81
HDAC1 Q13547 14/20 0.59
NAMPT P43490 2/20 0.58
HDAC2 Q92769 2/20 0.55
HDAC3 O15379 1/20 0.55
KDM1A O60341 1/20 0.55
CYP3A4 P08684 1/20 0.55
F3 P13726 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL12934184 1.00 HDAC4 (0.81) HDAC4MEF2DHDAC1NAMPTHDAC2
SCHEMBL21232146 0.90 HDAC4 (1.00) HDAC4MEF2DHDAC1NAMPTHDAC2
SCHEMBL3553336 0.89 HDAC1 (0.72) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL2733294 0.89 HDAC1 (0.72) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL8349105 0.89 HDAC4 (0.65) HDAC4MEF2DHDAC1NAMPTMEN1
SCHEMBL8348459 0.87 HDAC4 (0.68) HDAC4MEF2DHDAC1NAMPTHDAC2
SCHEMBL8346209 0.84 HDAC1 (0.79) HDAC4MEF2DHDAC1NAMPTHDAC3
SCHEMBL1065308 0.84 HDAC1 (0.79) HDAC4MEF2DHDAC1NAMPTHDAC3
SCHEMBL1065310 0.84 HDAC1 (0.79) HDAC4MEF2DHDAC1NAMPTHDAC3
SCHEMBL8243120 0.83 HDAC1 (0.78) HDAC4MEF2DHDAC1NAMPTHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC4 8/4885MEF2D 1367/4885HDAC1 1/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC4 8/4885MEF2D 1367/4885HDAC1 1/4885

“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.