SCHEMBL1367403

SCHEMBL1367403

O=C(Nc1ccccc1O)c1ccncc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
GAA P10253 3/20 0.57
LMNA P02545 3/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 1/20 0.57
RAB9A P51151 2/20 0.50
METAP2 P50579 1/20 0.50
KCNMA1 Q12791 1/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4D Q6B0I6 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
MAPK1 P28482 3/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL16577636 0.84 HTT (0.54) HTTGAALMNANPC1RAB9A
SCHEMBL31098214 0.81 HTT (0.73) HTTGAALMNANPC1TP53
SCHEMBL28072916 0.80 HTT (0.67) HTTGAALMNANPC1RAB9A
SCHEMBL11993794 0.79 GAA (0.39) HTTGAALMNANPC1TP53
SCHEMBL1025021 0.79 TMPRSS4 (0.57) GAAKCNMA1KDM4EHPGDMEN1
SCHEMBL1025905 0.78 P2RX1 (0.45) NPC1TP53RAB9AKCNMA1MEN1
SCHEMBL1364889 0.76 TDP1 (0.60) NPC1RAB9AL3MBTL1
SCHEMBL7954014 0.75 PTPN1 (0.58) HTTGAAKDM4EMEN1KMT2A
SCHEMBL18086516 0.74 RAB9A (0.68) HTTGAALMNANPC1TP53
SCHEMBL1023892 0.74 STIM1 (0.41) HTTKCNMA1KDM4EKDM4DKDM4C

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
WO-2009137499-A1 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
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 HTT 633/4885GAA 404/4885LMNA 914/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 HTT 331/4885GAA 149/4885LMNA 3137/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HTT 1202/4885GAA 607/4885LMNA 1258/4885

“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.