SCHEMBL9102280

SCHEMBL9102280

CN1C(=O)c2cccnc2Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
TTR P02766 1/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.43
THRB P10828 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
SCHEMBL9853429 0.88 NR1H2 (0.47) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL9101978 0.83 MAPT (0.53) MAPTLMNASMN1; SMN2KMT2APOLB
SCHEMBL9212981 0.82 TP53 (0.58) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL9101435 0.82 TP53 (0.60) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL12142337 0.82 TP53 (0.49) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL9099785 0.80 TP53 (0.56) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL14288741 0.79 NR1H2 (0.58) MAPTSMN1; SMN2KMT2ANR1H2NR1H3
SCHEMBL9098233 0.78 TP53 (0.53) TP53MAPTKMT2ACES1POLB
SCHEMBL9101209 0.76 TP53 (0.54) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8936687 0.74 NR1H2 (0.44) TP53MAPTLMNASMN1; SMN2KMT2A

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 13 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
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
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-5550122-A INHIBIT REVERSE TRANSCRIPTASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
EP-0415303-B1 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1995-12-13 EP disclosed
EP-0415303-A2 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-03-06 EP 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 TP53 1296/4885MAPT 151/4885LMNA 2724/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 TP53 2238/4885MAPT 2978/4885LMNA 914/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 TP53 1296/4885MAPT 151/4885LMNA 2724/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 TP53 1186/4885MAPT 156/4885LMNA 3137/4885
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION GRN, PRPH, TDP2 TP53 791/4885MAPT 10/4885LMNA 2029/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 TP53 3710/4885MAPT 3745/4885LMNA 1258/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 TP53 2238/4885MAPT 2978/4885LMNA 914/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 TP53 3710/4885MAPT 3745/4885LMNA 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.