SCHEMBL4580212

SCHEMBL4580212

CC(C)(C)[Si](OCc1ccc(-c2ccc(NC(=O)O)c(NC(=O)c3ccc(-c4cccnc4)cc3)c2)s1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.43
HDAC1 Q13547 12/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
KCNH2 Q12809 2/20 0.41
NTRK1 P04629 1/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NAMPT P43490 1/20 0.39
RAB9A P51151 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL14155962 0.93 HDAC1 (0.41) ABCB1HDAC1HDAC3HDAC2KCNH2
SCHEMBL4581112 0.83 CYP2A6 (0.54) ABCB1HDAC1HDAC3HDAC2NTRK1
SCHEMBL4580894 0.80 HDAC2 (0.44) HDAC1HDAC3HDAC2
SCHEMBL14155934 0.77 CYP2A6 (0.48) ABCB1HDAC1NTRK1NAMPTMKNK1
SCHEMBL4581158 0.76 CYP2E1 (0.54) ABCB1HDAC1HDAC3HDAC2NTRK1
SCHEMBL4578712 0.76 ABCB1 (0.39) ABCB1HDAC1HDAC3HDAC2NPC1
SCHEMBL4578706 0.76 ABCB1 (0.39) ABCB1HDAC1HDAC3HDAC2NPC1
SCHEMBL4580563 0.75 MAPT (0.46) ABCB1HDAC1HDAC3HDAC2NPC1
SCHEMBL4753669 0.72 CYP2A6 (0.55) ABCB1HDAC1HDAC3HDAC2MKNK1
SCHEMBL14155908 0.71 HDAC2 (0.44) HDAC1HDAC3HDAC2

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 ABCB1 4043/4885HDAC1 1/4885HDAC3 3/4885

“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.