SCHEMBL10587341

SCHEMBL10587341

CC(=O)c1cnc(S(C)(=O)=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TLR9 Q9NR96 2/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
P4HTM Q9NXG6 2/20 0.35
KCNJ1 P48048 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
STS P08842 1/20 0.33
CA5A P35218 1/20 0.33
LMNA P02545 3/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL335350 0.83 ALDH1A1 (0.50) THRBALDH1A1TP53HSD17B10NPC1
SCHEMBL13736275 0.81 NNMT (0.44) THRBALDH1A1TP53HSD17B10NPC1
SCHEMBL10588737 0.79 TP53 (0.38) THRBALDH1A1TP53HSD17B10NPC1
SCHEMBL2970976 0.78 MAPK1 (0.50) THRBALDH1A1TP53HSD17B10NPC1
Acetonitrile SCHEMBL27812716 0.75 ALDH1A1 (0.43) THRBALDH1A1TP53HSD17B10NPC1
SCHEMBL14480244 0.74 KCNJ1 (0.42) ALDH1A1TP53MAPTP4HTMKCNJ1
SCHEMBL27773731 0.74 MAPT (0.44) THRBALDH1A1TP53HSD17B10NPC1
SCHEMBL650818 0.74 HTT (0.60) THRBALDH1A1TP53HSD17B10NPC1
SCHEMBL5189305 0.74 HPGDS (0.43) THRBALDH1A1TP53HSD17B10NPC1
SCHEMBL10588269 0.72 GAA (0.48) ALDH1A1NPC1MAPTMAPK1SMN1; SMN2

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 10 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-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
EP-0325131-A2 Pyrimidine derivatives as performance stimulating agents BAYER AG (DE) 1989-07-26 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 (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 THRB 3157/4885ALDH1A1 1127/4885TP53 1296/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 THRB 3565/4885ALDH1A1 540/4885TP53 2238/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 THRB 3157/4885ALDH1A1 1127/4885TP53 1296/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 THRB 2982/4885ALDH1A1 1086/4885TP53 1186/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 THRB 2474/4885ALDH1A1 235/4885TP53 3710/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 THRB 3565/4885ALDH1A1 540/4885TP53 2238/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 THRB 2474/4885ALDH1A1 235/4885TP53 3710/4885

“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.