SCHEMBL8067121

SCHEMBL8067121

COC(=O)c1ccccc1Oc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL4580873 0.87 ALDH1A1 (0.60) MAPTNPSR1ALDH1A1TDP1LMNA
SCHEMBL1342267 0.87 MAPT (0.55) MAPTNPSR1L3MBTL1ALDH1A1TDP1
SCHEMBL8076951 0.86 L3MBTL1 (0.62) HTTL3MBTL1RAB9AALDH1A1TDP1
SCHEMBL4637188 0.86 TDP1 (0.58) MAPTNPSR1HTTL3MBTL1ALDH1A1
SCHEMBL8077126 0.86 MAPT (0.48) MAPTNPSR1HTTL3MBTL1ALDH1A1
SCHEMBL25666679 0.85 MAPT (0.49) MAPTNPSR1HTTL3MBTL1NPC1
SCHEMBL4579614 0.85 TTR (0.57) MAPTNPSR1ALDH1A1TDP1LMNA
SCHEMBL26758686 0.85 ALDH1A1 (0.53) MAPTNPSR1L3MBTL1ALDH1A1TDP1
SCHEMBL25666684 0.84 MAPT (0.48) MAPTNPSR1HTTL3MBTL1NPC1
SCHEMBL4003993 0.83 ALDH1A1 (0.56) MAPTNPSR1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (5 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 151/4885NPSR1 1263/4885HSP90AA1 698/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 MAPT 151/4885NPSR1 1263/4885HSP90AA1 698/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 MAPT 3745/4885NPSR1 2599/4885HSP90AA1 929/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 MAPT 2978/4885NPSR1 3653/4885HSP90AA1 1690/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 MAPT 3745/4885NPSR1 2599/4885HSP90AA1 929/4885

“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.

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