SCHEMBL1367720

SCHEMBL1367720

CCOC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HDAC1 Q13547 1/20 0.46
F2RL3 Q96RI0 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
PRMT1 Q99873 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
LTA4H P09960 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.42
P2RX3 P56373 1/20 0.42

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
SCHEMBL16302086 0.82 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL14780871 0.82 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL8220205 0.80 HTT (0.48) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL2405724 0.78 HPGD (0.45) ALDH1A1TSHRLMNAMAPK1HTT
SCHEMBL2388039 0.78 HPGD (0.45) ALDH1A1TSHRLMNAMAPK1HTT
SCHEMBL1365785 0.78 TDP1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL5498350 0.78 DRD4 (0.46) HDAC1DRD2DRD4DRD3
SCHEMBL8700852 0.77 ALDH1A1 (0.47) ALDH1A1LTA4H
SCHEMBL11777177 0.77 ALDH1A1 (0.47) ALDH1A1LTA4H
SCHEMBL8695503 0.77 ALDH1A1 (0.47) ALDH1A1LTA4H

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
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
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
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 ALDH1A1 1127/4885TSHR 4037/4885SMN1; SMN2 1726/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 ALDH1A1 540/4885TSHR 3882/4885SMN1; SMN2 4142/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ALDH1A1 1127/4885TSHR 4037/4885SMN1; SMN2 1726/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 ALDH1A1 1086/4885TSHR 4046/4885SMN1; SMN2 1482/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALDH1A1 235/4885TSHR 4500/4885SMN1; SMN2 3594/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 ALDH1A1 540/4885TSHR 3882/4885SMN1; SMN2 4142/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALDH1A1 235/4885TSHR 4500/4885SMN1; SMN2 3594/4885

“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.