SCHEMBL1367774

SCHEMBL1367774

CN1C(=O)CN=C(c2ccc(C(=O)O)cc2)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.78
GABRG2 P18507 6/20 0.78
GABRB3 P28472 6/20 0.78
GABRA5 P31644 6/20 0.78
GABRA3 P34903 6/20 0.78
GABRA2 P47869 6/20 0.78
GABRB2 P47870 4/20 0.78
CCKBR P32239 2/20 0.78
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
CACNA1F O60840 1/20 0.57
ALB P02768 1/20 0.57
GABRB1 P18505 1/20 0.57
OPRK1 P41145 1/20 0.57
AKR1C3 P42330 1/20 0.57
GABRA4 P48169 1/20 0.57
AKR1C2 P52895 1/20 0.57
GABRE P78334 1/20 0.57
CACNA1D Q01668 1/20 0.57
AKR1C1 Q04828 1/20 0.57

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
SCHEMBL30175096 0.88 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL877728 0.88 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1365301 0.86 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7960851 0.83 GABRG2 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9238180 0.83 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14212131 0.83 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27567875 0.80 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5353127 0.79 GABRA1 (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6782014 0.77 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
Diazepam SCHEMBL3044828 0.75 GABRA1 (0.93) GABRA1GABRG2GABRB3GABRA5GABRA3

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 12 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
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP 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-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 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-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US 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 (7 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 GABRA1 1167/4885GABRG2 1134/4885GABRB3 713/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 GABRA1 3480/4885GABRG2 3280/4885GABRB3 3042/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 GABRA1 1167/4885GABRG2 1134/4885GABRB3 713/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 GABRA1 1206/4885GABRG2 1098/4885GABRB3 624/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 GABRA1 1228/4885GABRG2 1128/4885GABRB3 612/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 GABRA1 3480/4885GABRG2 3280/4885GABRB3 3042/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 GABRA1 1228/4885GABRG2 1128/4885GABRB3 612/4885

“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.