SCHEMBL1320997

SCHEMBL1320997

CCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 16/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 1/20 1.00
CYP2C19 P33261 1/20 1.00
ACHE P22303 3/20 0.97
POLB P06746 1/20 0.66
ATM Q13315 1/20 0.66
HTR1A P08908 2/20 0.60
DRD3 P35462 2/20 0.60
ADRB3 P13945 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
HTR6 P50406 1/20 0.60
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
ALOX15 P16050 2/20 0.56
ALOX12 P18054 2/20 0.56
HSD17B10 Q99714 2/20 0.56

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
SCHEMBL29548285 1.00 BCHE (1.00) BCHECYP2D6TSHRCYP2C19ACHE
Hydrochloric Acid SCHEMBL30259425 0.98 ACHE (1.00) BCHECYP2D6TSHRCYP2C19ACHE
Hydrochloric Acid SCHEMBL159034 0.98 ACHE (1.00) BCHECYP2D6TSHRCYP2C19ACHE
SCHEMBL29362277 0.87 BCHE (0.77) BCHECYP2D6TSHRCYP2C19ACHE
SCHEMBL7343904 0.80 BCHE (1.00) BCHECYP2D6TSHRCYP2C19ACHE
SCHEMBL11618902 0.78 BCHE (0.67) BCHECYP2D6TSHRCYP2C19ACHE
SCHEMBL15557154 0.77 BCHE (0.65) BCHECYP2D6TSHRCYP2C19ACHE
Hydrochloric Acid SCHEMBL821902 0.77 ACHE (0.64) BCHECYP2D6TSHRCYP2C19ACHE
SCHEMBL7350072 0.74 BCHE (0.63) BCHECYP2D6TSHRCYP2C19ACHE
SCHEMBL8428712 0.74 BCHE (1.00) BCHECYP2D6TSHRCYP2C19ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820990-B2 Methods of treating disorders associated with protein aggregation The University of Pittsburgh—Of the Commonwealth System of Higher Education (US) 2017-11-21 US disclosed
US-20160361319-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-12-15 US disclosed
US-20150329822-A1 DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF Biocant - Associação De Transferência De Tecnologia (PT) 2015-11-19 US disclosed
EP-2935567-A2 DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF CNC - Centro de Neurociências E Biologia Molecular - Universidade de Coimbra (PT) 2015-10-28 EP disclosed
US-9072772-B2 Methods of treating disorders associated with protein aggregation University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-07-07 US disclosed
WO-2014097192-A2 DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF CNC - CENTRO DE NEUROCIÊNCIAS E BIOLOGIA MOLECULAR - UNIVERSIDADE DE COIMBRA (PT) 2014-06-26 WO disclosed
US-20140047569-A9 Methods of Treating Disorders Associated with Protein Aggregation UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-02-13 US disclosed
CN-101420922-B Porous calcium phosphate bone material ETEX CORP 2013-10-16 CN disclosed
US-20130024953-A1 Methods of Treating Disorders Associated with Protein Aggregation UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-01-24 US disclosed
US-8058243-B2 Method for treating a brain cancer with ifenprodil HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2011-11-15 US disclosed
US-20050277197-A1 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION 2005-12-15 US disclosed
US-6916661-B2 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION (US) 2005-07-12 US disclosed
US-20040087032-A1 Microparticles with multiple fluorescent signals and methods of using same CHANDLER MARK B (US) 2004-05-06 US disclosed
US-6649414-B1 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION 2003-11-18 US disclosed
EP-1049807-B1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS LUMINEX CORP (US) 2003-05-07 EP disclosed
EP-1204869-A1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS AND METHODS OF USING SAME Luminex Corporation (US) 2002-05-15 EP disclosed
WO-2001091553-A1 COMPOSITE WAFER FOR CONTROLLED DRUG DELIVERY DEMEGEN, INC. (US) 2001-12-06 WO disclosed
US-6268222-B1 Microparticles attached to nanoparticles labeled with flourescent dye LUMINEX CORPORATION 2001-07-31 US disclosed
WO-2001013120-A1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS AND METHODS OF USING SAME LUMINEX CORPORATION (US) 2001-02-22 WO disclosed
WO-1999037814-A9 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS LUMINEX CORP (US) 1999-10-14 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 (3 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-20160361319-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION HTT, ATIC, API5 BCHE 106/4885CYP2D6 2596/4885TSHR 2332/4885
US-20140047569-A9 Methods of Treating Disorders Associated with Protein Aggregation HTT, ATIC, API5 BCHE 106/4885CYP2D6 2596/4885TSHR 2332/4885
US-20130024953-A1 Methods of Treating Disorders Associated with Protein Aggregation HTT, ATIC, API5 BCHE 106/4885CYP2D6 2596/4885TSHR 2332/4885

“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.