SCHEMBL4579712

SCHEMBL4579712

Nc1ccc(-c2ccccc2)cc1NC(=O)c1cc2ccc(OCCN3CCOCC3)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC3 O15379 5/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.49
MAPK14 Q16539 1/20 0.47
MMP13 P45452 1/20 0.47
KDR P35968 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4581240 0.93 HDAC1 (0.55) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL4579934 0.93 HDAC1 (0.51) HDAC1HDAC2HDAC3CYP1A2ADORA2A
SCHEMBL4581195 0.92 HDAC1 (0.53) HDAC1HDAC2HDAC3CYP1A2
SCHEMBL4580187 0.90 CYP1A2 (0.48) HDAC1HDAC2HDAC3CYP1A2MAPK14
SCHEMBL1063437 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC3CYP1A2
SCHEMBL4578142 0.86 HDAC1 (0.51) HDAC1HDAC2HDAC3ADORA2AADORA1
SCHEMBL4577533 0.86 BACE1 (0.48) HDAC1HDAC2HDAC3KDR
SCHEMBL4579495 0.84 MAOB (0.48) HDAC1HDAC2HDAC3CYP1A2
SCHEMBL6408412 0.79 CYP1A2 (0.65) NPC1RAB9ACYP1A2TP53SMN1; SMN2
SCHEMBL4578645 0.78 HDAC1 (0.47) HDAC1HDAC2HDAC3ADORA2AADORA1

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 8 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 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
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.