SCHEMBL4579283

SCHEMBL4579283

COc1cc2cc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)oc2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.56
HDAC1 Q13547 13/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 9/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL4580130 0.90 HDAC2 (0.57) HDAC2HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL4579321 0.88 HDAC2 (0.54) HDAC2HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL1066617 0.81 HDAC1 (0.62) HDAC2HDAC1HDAC3
SCHEMBL31108997 0.79 HDAC2 (0.54) HDAC2HDAC1NPC1RAB9AKMT2A
SCHEMBL25251306 0.79 HDAC2 (0.53) HDAC2HDAC1NPC1RAB9AKMT2A
SCHEMBL30474694 0.79 HDAC2 (0.53) HDAC2HDAC1NPC1RAB9AKMT2A
SCHEMBL25211739 0.77 HDAC2 (0.52) HDAC2HDAC1NPC1RAB9AKMT2A
SCHEMBL30474696 0.77 HDAC2 (0.52) HDAC2HDAC1NPC1RAB9AKMT2A
SCHEMBL4579503 0.77 HDAC1 (0.50) HDAC2HDAC1HDAC3ALDH1A1
1,2-Dimethoxybenzene SCHEMBL28946344 0.76 HDAC2 (0.65) HDAC2HDAC1NPC1RAB9ASMN1; SMN2

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 HDAC2 5/4885HDAC1 1/4885NPC1 1197/4885

“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.