Sugi Predict

Sugi Predict / Compounds / SCHEMBL1365652

SCHEMBL1365652

SCHEMBL1365652

O=c1ccc2nc3ccccc3ccc-2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 15/20 0.58
▸ RAB9A P51151 15/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ AR P10275 2/20 0.58
▸ SMN1; SMN2 Q16637 10/20 0.57
▸ KDM4E B2RXH2 9/20 0.57
▸ ALDH1A1 P00352 8/20 0.57
▸ MAPT P10636 6/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ TP53 P04637 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ PKM P14618 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ GMNN O75496 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ NFKB1 P19838 2/20 0.55
▸ NFKB2 Q00653 2/20 0.55

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
SCHEMBL240431 0.82 NPC1 (0.63) NPC1RAB9AMEN1KMT2AAR
SCHEMBL34467584 0.82 NPC1 (0.63) NPC1RAB9AMEN1KMT2AAR
SCHEMBL12112870 0.82 RAB9A (0.80) NPC1RAB9AMEN1KMT2AAR
SCHEMBL2220158 0.81 NPC1 (0.61) NPC1RAB9AMEN1KMT2AAR
SCHEMBL4337601 0.81 NPC1 (0.61) NPC1RAB9AMEN1KMT2AAR
SCHEMBL17449881 0.80 RAB9A (0.62) NPC1RAB9AMEN1KMT2AAR
SCHEMBL13146173 0.78 NPC1 (0.58) NPC1RAB9AMEN1KMT2AAR
SCHEMBL4200269 0.78 RAB9A (0.58) NPC1RAB9AMEN1KMT2AAR
SCHEMBL7377867 0.77 NPC1 (0.53) NPC1RAB9AMEN1KMT2AAR
SCHEMBL3161469 0.77 ESR2 (0.72) AR

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208326-A 8-HYDROXY-2H-DIBENZ(B,F)AZEPIN-2-ONE DYES MILES INC. (US) 1993-05-04 — — US claimed
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-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
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 — — EP disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 — — WO 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
EP-0542019-A1 8-Hydroxy-2H-dibenz(b,f) azepin-2 one dyes Bayer Corporation (US) 1993-05-19 — — EP disclosed
US-5208326-A 8-HYDROXY-2H-DIBENZ(B,F)AZEPIN-2-ONE DYES MILES INC. (US) 1993-05-04 — — 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 (4 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 NPC1 2373/4885RAB9A 2415/4885MEN1 2046/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 NPC1 785/4885RAB9A 1668/4885MEN1 4208/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 NPC1 3527/4885RAB9A 4077/4885MEN1 3735/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 NPC1 2373/4885RAB9A 2415/4885MEN1 2046/4885

“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.