Sugi Predict

Sugi Predict / Compounds / SCHEMBL1367685

SCHEMBL1367685

SCHEMBL1367685

ClC1=Nc2ccccc2Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.47
▸ DRD4 P21917 3/20 0.47
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ CHRM1 P11229 6/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ DRD1 P21728 5/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ FER P16591 1/20 0.41
▸ LTK P29376 1/20 0.41

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
SCHEMBL1365198 0.84 DRD2 (0.59) DRD2DRD4LMNAMAPTCHRM1
SCHEMBL2506350 0.83 MAPT (0.42) DRD2DRD4LMNAMAPTGAA
SCHEMBL10959987 0.79 LMNA (0.46) DRD2DRD4LMNAMAPTGAA
SCHEMBL2507304 0.79 CYP1A2 (0.49) DRD2DRD4CYP1A2SMN1; SMN2NFKB1
SCHEMBL30962458 0.76 DRD2 (0.47) DRD2DRD4LMNAMAPTGAA
SCHEMBL1773392 0.76 DRD2 (0.47) DRD2DRD4LMNAMAPTGAA
SCHEMBL4204909 0.76 CYP1A2 (0.48) DRD2DRD4LMNAMAPTGAA
SCHEMBL1773395 0.76 DRD2 (0.51) DRD2DRD4LMNAMAPTGAA
SCHEMBL17321809 0.75 IDO1 (0.40) LMNAMAPTCYP1A2CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL5557868 0.74 CYP1A2 (0.47) DRD2DRD4LMNAMAPTGAA

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
WO-2011123678-A2 SUBSTITUTED BENZO-PYRIDO-TRIAZOLO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2011-10-06 — — WO disclosed
US-20110245236-A1 Substituted Benzo-Pyrido-Triazolo-Diazepine Compounds ARQULE, INC. (US) 2011-10-06 — — US disclosed
US-20110245236-A1 Substituted Benzo-Pyrido-Triazolo-Diazepine Compounds ARQULE, INC. (US) 2011-10-06 — — US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 — — US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 — — 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
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 (5 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-20110245236-A1 Substituted Benzo-Pyrido-Triazolo-Diazepine Compounds BRD4, PDXK, THPO DRD2 516/4885DRD4 454/4885LMNA 1848/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 DRD2 3170/4885DRD4 3559/4885LMNA 914/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 DRD2 996/4885DRD4 1203/4885LMNA 3137/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 DRD2 947/4885DRD4 1042/4885LMNA 1258/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 DRD2 3170/4885DRD4 3559/4885LMNA 914/4885

“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.