SCHEMBL353775

SCHEMBL353775

NC(=O)c1cnccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
POLB P06746 2/20 0.45
CDC7 O00311 1/20 0.45
CDK9 P50750 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL3554851 0.88 CDC7 (0.48) SIRT3TDP1MAPTHTTPOLB
SCHEMBL4907976 0.86 SMN1; SMN2 (0.50) MAPTHTTPOLBCYP1A2CYP3A4
SCHEMBL883907 0.86 CDC7 (0.58) SIRT3TDP1MAPTHTTCDC7
Potassium SCHEMBL30402396 0.85 SMN1; SMN2 (0.49) MAPTHTTPOLBCYP1A2CYP3A4
SCHEMBL3627591 0.84 NPC1 (0.61) SIRT3TDP1MAPTHTTCDC7
Potassium Ion SCHEMBL18394668 0.84 MAPT (0.47) MAPTHTTPOLBCYP1A2CYP3A4
SCHEMBL31005773 0.82 CYP3A4 (0.52) SIRT3TDP1MAPTPOLBCDC7
SCHEMBL14663533 0.82 PIM1 (0.51) SIRT3TDP1MAPTCDC7CDK9
SCHEMBL29402739 0.81 SIRT3 (0.45) SIRT3TDP1MAPTHTTCDC7
SCHEMBL22731971 0.79 PARP1 (0.47) MAPTHTTCYP3A4CYP2C9CYP2C19

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2018-07-05 US claimed
US-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2025-04-24 US disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US disclosed
US-9284271-B2 Compounds for the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-03-15 US disclosed
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2015-11-26 US disclosed
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-26 US disclosed
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-31 US disclosed
EP-2651887-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
WO-2012080220-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-6596773-B2 Central nervous system disorders HOFFMANN-LA ROCHE INC. 2003-07-22 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 (9 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-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B SIRT3 760/4885TDP1 1890/4885MAPT 302/4885
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 SIRT3 1894/4885TDP1 261/4885MAPT 2/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA SIRT3 217/4885TDP1 4434/4885MAPT 2275/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 SIRT3 2403/4885TDP1 1755/4885MAPT 4768/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 SIRT3 3347/4885TDP1 1813/4885MAPT 4825/4885
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives CXCR1, CXCR5, CXCR4 SIRT3 918/4885TDP1 4180/4885MAPT 4615/4885
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CXCR1, CXCR5, CXCR4 SIRT3 1287/4885TDP1 3976/4885MAPT 4643/4885
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SIRT3 63/4885TDP1 1473/4885MAPT 2416/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B SIRT3 760/4885TDP1 1890/4885MAPT 302/4885

“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.