SCHEMBL2113682

SCHEMBL2113682

O=C1Nc2cc(Cl)ccc2Sc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.68
NOX1 Q9Y5S8 2/20 0.66
BCHE P06276 1/20 0.66
ACHE P22303 1/20 0.66
CHEK1 O14757 1/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 2/20 0.53
TP53 P04637 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 4/20 0.51
RXFP1 Q9HBX9 2/20 0.51
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK10 P53779 1/20 0.49
HSD17B10 Q99714 1/20 0.49
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL31098239 0.88 L3MBTL1 (0.68) L3MBTL1NOX1BCHEACHECHEK1
SCHEMBL7714466 0.82 NOX1 (0.52) L3MBTL1NOX1BCHEACHECHEK1
SCHEMBL8988 0.81 L3MBTL1 (1.00) L3MBTL1NOX1BCHEACHEGAA
SCHEMBL3190862 0.81 L3MBTL1 (0.68) L3MBTL1GAATSHRMAPK1HPGD
SCHEMBL29441713 0.81 L3MBTL1 (0.68) L3MBTL1NOX1BCHEACHEGAA
SCHEMBL5057716 0.81 L3MBTL1 (0.68) L3MBTL1NOX1BCHEACHEGAA
SCHEMBL17085948 0.81 L3MBTL1 (0.68) L3MBTL1NOX1BCHEACHEGAA
SCHEMBL3186004 0.80 L3MBTL1 (0.66) L3MBTL1GAATSHRMAPK1HPGD
SCHEMBL11505467 0.80 NOX1 (0.51) L3MBTL1NOX1BCHEACHECHEK1
SCHEMBL236458 0.80 NOX1 (1.00) L3MBTL1NOX1BCHEACHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
WO-2011121602-A1 PROCESS FOR PREPARATION OF DIBENZOTHIAZEPINONE COMPOUNDS HIKAL LIMITED (IN) 2011-10-06 WO disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP disclosed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7622461-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. (US) 2009-11-24 US disclosed
US-7622461-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. (US) 2009-11-24 US disclosed
US-7622461-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. (US) 2009-11-24 US disclosed
US-5538965-A TREATMENT OF PSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-07-23 US disclosed
WO-1996019479-A1 MUSCARINIC RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-27 WO disclosed
WO-1996018630-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-06-20 WO disclosed
WO-1995017400-A1 N-HETEROBICYCLYL-PIPERAZINYL OR-PIPERADINYL TRICYCLIC DERIVATIVES USEFUL AS DOPAMINE RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-06-29 WO disclosed
US-5393747-A Substituted dibenzoxazepine compounds for the treatment of convulsions, ischemia and other diseases responsive to prostaglandin-E2 antagonists G. D. SEARLE & CO. (US) 1995-02-28 US disclosed
EP-0583408-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
US-5283240-A Administering prostaglandin antagonists G. D. SEARLE & CO. (US) 1994-02-01 US disclosed
US-5182272-A 8-substituted-dibenz[b,f][1,4]oxazepine-10(11)-carboxylic acid, substituted hydrazides, pharmaceutical compositions, and methods for treating pain G. D. SEARLE & CO. (US) 1993-01-26 US disclosed
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512399-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 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 (2 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-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 L3MBTL1 2625/4885NOX1 2330/4885BCHE 121/4885
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 L3MBTL1 4880/4885NOX1 1250/4885BCHE 1256/4885

“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.