SCHEMBL1367306

SCHEMBL1367306

O=C(Nc1ccccc1O)c1cccnc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
NPC1 O15118 5/20 0.63
GAA P10253 3/20 0.63
HTT P42858 2/20 0.63
TP53 P04637 2/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
METAP2 P50579 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDR P35968 1/20 0.53
RAB9A P51151 2/20 0.53
KCNMA1 Q12791 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL8299753 0.87 TDP1 (0.68) TDP1NPC1GAAHTTLMNA
SCHEMBL9844353 0.86 TDP1 (0.63) TDP1NPC1GAAHTTLMNA
SCHEMBL29777389 0.86 SMN1; SMN2 (0.68) TDP1NPC1GAAHTTSMN1; SMN2
SCHEMBL975125 0.86 SMN1; SMN2 (0.68) TDP1NPC1GAAHTTSMN1; SMN2
SCHEMBL29777391 0.86 SMN1; SMN2 (0.68) TDP1NPC1GAAHTTSMN1; SMN2
SCHEMBL28035894 0.85 TDP1 (0.65) TDP1NPC1GAAHTTLMNA
SCHEMBL971803 0.84 TDP1 (0.64) TDP1NPC1GAAHTTTP53
SCHEMBL8189574 0.82 EGFR (0.53) TDP1NPC1GAAHTTLMNA
SCHEMBL8074225 0.81 TDP1 (0.85) TDP1NPC1GAAHTTLMNA
SCHEMBL21828979 0.81 KDM4E (0.65) TDP1NPC1GAAHTTSMN1; 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 46 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
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
EP-1699752-B1 (HETERO)CYCLYL CARBOXANILIDES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-09-26 EP disclosed
US-20070117852-A1 (Hetero)cyclyl carboxanilides for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-05-24 US disclosed
EP-1699752-A1 (HETERO)CYCLYL CARBOXANILIDES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-09-13 EP disclosed
WO-2005063692-A1 (HETERO)CYCLYL CARBOXANILIDES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed
US-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 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 (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-20070117852-A1 (Hetero)cyclyl carboxanilides for controlling harmful fungi CYCS, CBR3, CYC1 TDP1 3248/4885NPC1 2992/4885GAA 3325/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 TDP1 1331/4885NPC1 2373/4885GAA 404/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 TDP1 406/4885NPC1 785/4885GAA 149/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 TDP1 2110/4885NPC1 3527/4885GAA 607/4885

“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.