SCHEMBL4579133

SCHEMBL4579133

NN(C(=O)c1ccc(C=CC(=O)O)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.47
TNFRSF1A P19438 7/20 0.46
HCAR2 Q8TDS4 2/20 0.40
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ESR1 P03372 1/20 0.37
HDAC1 Q13547 3/20 0.36
KAT6A Q92794 1/20 0.36
FFAR1 O14842 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC3 O15379 2/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL4577912 0.85 KDM4E (0.44) HDAC2ABL1BCRHDAC1KAT6A
SCHEMBL4578927 0.79 TNFRSF1A (0.46) HDAC2TNFRSF1AHDAC1HDAC3HDAC8
SCHEMBL4579984 0.79 NPC1 (0.46) HDAC2TNFRSF1AABL1BCRHDAC1
SCHEMBL4578969 0.78 FFAR1 (0.56) HDAC1FFAR1
SCHEMBL4311941 0.78 KCNH2 (0.39) HDAC2ABL1BCRHDAC1KAT6A
SCHEMBL5471588 0.78 HDAC2 (0.72) HDAC2TNFRSF1AHCAR2ESR1HDAC1
SCHEMBL11827219 0.78 HDAC2 (0.72) HDAC2TNFRSF1AHCAR2ESR1HDAC1
SCHEMBL28505528 0.77 HDAC2 (0.55) HDAC2TNFRSF1AHCAR2HDAC1NPSR1
SCHEMBL30584126 0.77 HDAC2 (0.55) HDAC2TNFRSF1AHCAR2HDAC1NPSR1
SCHEMBL1066509 0.77 HDAC3 (0.41) HDAC2TNFRSF1AABL1BCRHDAC1

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 HDAC2 5/4885TNFRSF1A 3142/4885HCAR2 1635/4885

“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.