SCHEMBL8076871

SCHEMBL8076871

COC(=O)c1ccccc1Oc1ccc(C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HSP90AA1 P07900 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
CFTR P13569 1/20 0.53
SLC6A4 P31645 3/20 0.50
CYP3A4 P08684 2/20 0.47
SLC6A3 Q01959 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1339901 0.86 ALDH1A1 (0.53) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL4579128 0.86 USP2 (0.63) MAPTHTTNPSR1ALDH1A1HSD17B10
SCHEMBL8075165 0.85 HTT (0.55) HTTALDH1A1HSD17B10SLC6A4CYP3A4
SCHEMBL8075174 0.85 ALDH1A1 (0.68) MAPTHTTALDH1A1HSD17B10CFTR
SCHEMBL15235338 0.84 ABL1 (0.61) MAPTHTTNPSR1ALDH1A1HSD17B10
SCHEMBL26758678 0.83 USP2 (0.53) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL8067090 0.82 SLC6A4 (0.44) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL1365182 0.81 CFTR (0.64) MAPTNPSR1ALDH1A1HSD17B10CFTR
SCHEMBL8066644 0.81 ALDH1A1 (0.54) MAPTHTTNPSR1ALDH1A1HSD17B10
SCHEMBL2441955 0.81 SLC6A3 (0.65) MAPTHTTALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 EP disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
EP-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP disclosed
EP-0799198-A4 1997-10-15 EP disclosed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US disclosed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 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 (6 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 MAPT 151/4885HSP90AA1 698/4885HTT 281/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 MAPT 151/4885HSP90AA1 698/4885HTT 281/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 MAPT 156/4885HSP90AA1 733/4885HTT 331/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 MAPT 3745/4885HSP90AA1 929/4885HTT 1202/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 MAPT 2978/4885HSP90AA1 1690/4885HTT 633/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 MAPT 3745/4885HSP90AA1 929/4885HTT 1202/4885

“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.