SCHEMBL7945152

SCHEMBL7945152

CC(C)N1C(=O)c2cccnc2N(C2CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPK1 P28482 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PDE3A Q14432 1/20 0.46
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
IDH1 O75874 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
BRD4 O60885 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL12427418 0.83 ALDH1A1 (0.51) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL8789585 0.80 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1BRD4DCLK1
SCHEMBL8790708 0.75 TTR (0.42) ALDH1A1DRD2BRD4DCLK1LRRK2
SCHEMBL1364796 0.72 ALDH1A1 (0.62) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL1367854 0.71 LMNA (0.46) ALDH1A1LMNA
SCHEMBL1366911 0.69 HDAC8 (0.53) LMNA
SCHEMBL14726017 0.69 TDP1 (0.47) ALDH1A1LMNAMAPK1
SCHEMBL1367455 0.69 HDAC1 (0.57) ALDH1A1
SCHEMBL1365300 0.68 HDAC8 (0.59) ALDH1A1MAPK1
SCHEMBL1366810 0.68 HDAC8 (0.59) ALDH1A1MAPK1

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 14 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-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION FMR LLC 2014-06-26 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
WO-2012135097-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION ENVIVO PHARMACEUTICALS, INC. (US) 2012-10-04 WO 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
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO 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 (8 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 ALDH1A1 1127/4885LMNA 2724/4885POLB 1537/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 ALDH1A1 540/4885LMNA 914/4885POLB 694/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ALDH1A1 1127/4885LMNA 2724/4885POLB 1537/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 ALDH1A1 1086/4885LMNA 3137/4885POLB 1629/4885
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION GRN, PRPH, TDP2 ALDH1A1 4197/4885LMNA 2029/4885POLB 699/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALDH1A1 235/4885LMNA 1258/4885POLB 953/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 ALDH1A1 540/4885LMNA 914/4885POLB 694/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALDH1A1 235/4885LMNA 1258/4885POLB 953/4885

“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.