SCHEMBL4580368

SCHEMBL4580368

Nc1ccc(-c2ccc(F)c(F)c2)cc1NC(=O)c1ccc(CN2CCOCC2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.48
HDAC2 Q92769 8/20 0.48
HDAC3 O15379 6/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PRKD3 O94806 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4578780 0.82 HDAC1 (0.62) HDAC1HDAC2HDAC3KCNH2
SCHEMBL4579920 0.76 HDAC1 (0.67) HDAC1HDAC2HDAC3KCNH2NPC1
SCHEMBL4580187 0.76 CYP1A2 (0.48) HDAC1HDAC2HDAC3
SCHEMBL4579720 0.75 HDAC1 (0.56) HDAC1HDAC2HDAC3KCNH2
SCHEMBL4578900 0.74 HDAC1 (0.70) HDAC1HDAC2HDAC3KCNH2NPC1
SCHEMBL4579730 0.74 HDAC1 (0.79) HDAC1HDAC2HDAC3RAB9A
SCHEMBL4580575 0.74 HDAC1 (0.58) HDAC1HDAC2HDAC3KCNH2NPC1
SCHEMBL4580174 0.73 HDAC1 (0.64) HDAC1HDAC2HDAC3KCNH2
SCHEMBL4579727 0.72 HDAC1 (0.54) HDAC1HDAC2HDAC3SMN1; SMN2MAPK1
SCHEMBL4578211 0.72 HDAC2 (0.62) HDAC1HDAC2HDAC3KCNH2NPC1

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 7 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
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 1/4885HDAC2 5/4885HDAC3 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.