SCHEMBL193205

SCHEMBL193205

O=C(Cl)c1ccnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
GLS O94925 1/20 0.46
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ROCK1 Q13464 1/20 0.42
CYP2C9 P11712 5/20 0.41
MAPK1 P28482 1/20 0.40
PTGS2 P35354 1/20 0.40
RIPK2 O43353 1/20 0.40
BACE1 P56817 1/20 0.40
NR3C2 P08235 1/20 0.40
CYP2C18 P33260 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
S1PR4 O95977 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL856957 0.85 POLB (0.52) POLBGLSHCRTR1HCRTR2ROCK1
Hydrochloric Acid SCHEMBL11893514 0.83 POLB (0.50) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL3168308 0.81 POLB (0.53) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL10242690 0.81 MAPK1 (0.51) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL11234917 0.81 GLS (0.46) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL13485755 0.79 GLS (0.53) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL23367088 0.77 POLB (0.49) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL18394893 0.77 TP53 (0.50) POLBGLSHCRTR1HCRTR2CYP2C9
SCHEMBL17321503 0.77 ALDH1A1 (0.46) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL25110209 0.77 GLS (0.52) POLBGLSHCRTR1HCRTR2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
CN-105263921-B Terazololine-one compound and its application 住友化学株式会社 2017-07-21 CN disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
EP-3190109-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven (BE) 2017-07-12 EP disclosed
EP-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-11-10 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
EP-1856099-A2 ACRIDINE AND QUINOLINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2007-11-21 EP disclosed
WO-2007125330-A1 IMIDAZO[4, 5-B]PYRIDIN-2-ONE AND OXAZOLO[4, 5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
CN-1898206-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-01-17 CN disclosed
WO-2006094237-A2 ACRIDINE AND QUINOLINE DERVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 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 (6 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 POLB 3517/4885GLS 217/4885HCRTR1 86/4885
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN POLB 4302/4885GLS 310/4885HCRTR1 194/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN POLB 4300/4885GLS 309/4885HCRTR1 191/4885
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG POLB 3773/4885GLS 1045/4885HCRTR1 472/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN POLB 4302/4885GLS 310/4885HCRTR1 194/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 POLB 1863/4885GLS 1062/4885HCRTR1 4723/4885

“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.