SCHEMBL4578855

SCHEMBL4578855

O=C(Nc1cc(-c2ccsc2)ccc1O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.75
HDAC3 O15379 1/20 0.56
KCNH2 Q12809 1/20 0.56
HIF1A Q16665 4/20 0.53
EPAS1 Q99814 4/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.51
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL4578653 0.89 HDAC1 (0.70) HDAC1HDAC3KCNH2HIF1AEPAS1
SCHEMBL3642231 0.86 HDAC1 (1.00) HDAC1HIF1AEPAS1RAB9A
SCHEMBL27672978 0.80 HIF1A (0.71) HIF1AEPAS1RAB9ANPC1MAPT
SCHEMBL4578900 0.77 HDAC1 (0.70) HDAC1HDAC3KCNH2HIF1AEPAS1
SCHEMBL3642229 0.76 HDAC1 (1.00) HDAC1
SCHEMBL4580174 0.75 HDAC1 (0.64) HDAC1HDAC3KCNH2HIF1AEPAS1
SCHEMBL4579920 0.75 HDAC1 (0.67) HDAC1HDAC3KCNH2HIF1AEPAS1
SCHEMBL4579730 0.75 HDAC1 (0.79) HDAC1HDAC3HIF1AEPAS1RAB9A
SCHEMBL3637331 0.73 HDAC1 (1.00) HDAC1HDAC3
SCHEMBL1063737 0.73 HDAC1 (0.75) HDAC1HDAC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN 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
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN disclosed
CN-101466670-A Benzamide derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-06-24 CN 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 (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 3/4885KCNH2 4025/4885

“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.