SCHEMBL1366876

SCHEMBL1366876

O=C(CN1c2ccccc2C=Cc2ccccc21)NO

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
P2RX4 Q99571 11/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN4A P35499 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
P2RX1 P51575 3/20 0.44
P2RX3 P56373 3/20 0.44
P2RX7 Q99572 2/20 0.44
PTBP1 P26599 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL1366765 0.82 HDAC8 (0.70) HDAC8MTNR1AMTNR1BMAPK1HDAC3
SCHEMBL2143907 0.80 HDAC8 (0.76) HDAC8MTNR1AMTNR1BHDAC3HDAC1
SCHEMBL1366451 0.79 HDAC8 (0.79) HDAC8MTNR1AMTNR1BHDAC3HDAC1
SCHEMBL1367266 0.79 HDAC6 (0.55) HDAC8MTNR1AMTNR1BHDAC3HDAC1
SCHEMBL2143965 0.79 HDAC8 (0.79) HDAC8MTNR1AMTNR1BHDAC3HDAC1
SCHEMBL1365891 0.76 P2RX4 (0.59) MTNR1AMTNR1BP2RX4LMNATSHR
SCHEMBL12905299 0.76 KDM4E (0.69) HDAC8LMNATSHRSMN1; SMN2NPSR1
SCHEMBL15603438 0.73 P2RX4 (0.66) MTNR1AMTNR1BP2RX4LMNATSHR
SCHEMBL1367216 0.73 HDAC1 (0.70) HDAC8HDAC3HDAC1HDAC6
SCHEMBL2143960 0.73 HDAC8 (0.60) HDAC8MTNR1AMTNR1BP2RX4HDAC3

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 39 patents — showing the first 20. 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-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
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-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 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
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-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 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
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
EP-2049483-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-04-22 EP disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 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 (3 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-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HDAC8 9/4885MTNR1A 3625/4885MTNR1B 3127/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 HDAC8 8/4885MTNR1A 1468/4885MTNR1B 1036/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HDAC8 8/4885MTNR1A 2786/4885MTNR1B 806/4885

“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.