SCHEMBL4579868

SCHEMBL4579868

CC(C)(C)OC(=O)NN(C(=O)c1ccc2c(c1)CCCN2C(=O)OCc1cccnc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
GPR119 Q8TDV5 2/20 0.37
TNFRSF1A P19438 1/20 0.37
CYP11B2 P19099 5/20 0.35
TP53 P04637 2/20 0.34
TRIM24 O15164 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MPO P05164 1/20 0.33
MAPT P10636 1/20 0.33
NAMPT P43490 1/20 0.33
CYP11B1 P15538 3/20 0.33
CREBBP Q92793 1/20 0.32

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
SCHEMBL4577475 0.86 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8PDK1
SCHEMBL4579866 0.83 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8TP53
SCHEMBL4577465 0.77 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4580814 0.74 PDK1 (0.52) HDAC1HDAC8PDK1PDK2PDK3
SCHEMBL4579112 0.73 NPC1 (0.49) HDAC8PDK1PDK2PDK3PDK4
SCHEMBL4580585 0.70 FFAR1 (0.50) HDAC1GPR119TP53POLBMAPT
SCHEMBL4579772 0.69 NPC1 (0.42) GPR119TP53POLBMAPT
SCHEMBL2207150 0.69 HDAC1 (0.42) HDAC1HDAC2GPR119POLB
SCHEMBL2133268 0.69 KMO (0.47) GPR119CYP11B2NAMPTCYP11B1
SCHEMBL4580090 0.69 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8TNFRSF1A

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 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.