SCHEMBL517885

SCHEMBL517885

NS(=O)(=O)C1CCc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
CA2 P00918 5/20 0.41
CA1 P00915 3/20 0.41
MTNR1A P48039 3/20 0.40
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HTR6 P50406 1/20 0.36
PLAU P00749 1/20 0.35

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
SCHEMBL31634875 1.00 SMYD3 (0.43) SMYD3CA2CA1MTNR1ANPC1
Carbamic Acid SCHEMBL1271067 0.92 SMYD3 (0.44) SMYD3CA2CA1MTNR1AMAPT
SCHEMBL7365470 0.83 MTNR1A (0.40) SMYD3CA2CA1MTNR1ANPC1
SCHEMBL5261942 0.83 NPC1 (0.42) SMYD3CA2CA1MTNR1ANPC1
SCHEMBL7419730 0.83 MTNR1A (0.43) SMYD3CA2CA1MTNR1ANPC1
SCHEMBL3139036 0.82 GAA (0.47) SMYD3CA2CA1MTNR1AMAPT
Hydrochloric Acid SCHEMBL16353531 0.81 MTNR1A (0.43) SMYD3CA2CA1MTNR1ANPC1
SCHEMBL16618729 0.80 MTNR1A (0.39) SMYD3CA2CA1MTNR1ANPC1
SCHEMBL17163829 0.79 MTNR1A (0.41) SMYD3CA2CA1MTNR1ANPC1
SCHEMBL7823822 0.75 ESR1 (0.44) SMYD3MTNR1ANPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108503584-B 1,2,3, 4-tetrahydroquinoline sulfonamide compound and application thereof 复旦大学 2021-05-04 CN claimed
CN-108503584-A A kind of 1,2,3,4- tetrahydroquinolines sulfamide compound and its application 复旦大学 2018-09-07 CN claimed
WO-2016044771-A1 HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO claimed
EP-2563761-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-03-06 EP claimed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO claimed
US-7964603-B2 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-21 US claimed
EP-2016943-B1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2011-02-23 EP claimed
US-20090030013-A1 SUBSTITUTED TETRAHYDRO-QUINOLINE-SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-01-29 US claimed
EP-2016943-A1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-21 EP claimed
US-11641857-B2 Unusually potent ABA receptor pan-antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11440887-B2 Substituted 1,2,3,4-tetrahydroquinolines as inhibitors of repair enzyme 8-oxoguanine deoxyribonucleic acid glycosylase activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-09-13 US disclosed
CN-108503584-B 1,2,3, 4-tetrahydroquinoline sulfonamide compound and application thereof 复旦大学 2021-05-04 CN disclosed
CN-108503584-B 1,2,3, 4-tetrahydroquinoline sulfonamide compound and application thereof 复旦大学 2021-05-04 CN disclosed
US-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-18 US disclosed
US-20090030013-A1 SUBSTITUTED TETRAHYDRO-QUINOLINE-SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-01-29 US disclosed
US-20090030013-A1 SUBSTITUTED TETRAHYDRO-QUINOLINE-SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-01-29 US disclosed
EP-2016943-A1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-21 EP disclosed
EP-2016943-A1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-21 EP disclosed
EP-2016943-A1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-21 EP disclosed
WO-2008061373-A1 COMBINATION TREATMENTS FOR ALZHEIMER'S DISEASE AND SIMILAR DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2008-05-29 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-11440887-B2 Substituted 1,2,3,4-tetrahydroquinolines as inhibitors of repair enzyme 8-oxoguanine deoxyribonucleic acid glycosylase activity OGG1, UNG, MPG SMYD3 2325/4885CA2 4258/4885CA1 4464/4885
US-11641857-B2 Unusually potent ABA receptor pan-antagonists AAK1, ATP5PO, BROX SMYD3 4598/4885CA2 1123/4885CA1 2694/4885
US-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon OGG1, UNG, MPG SMYD3 3827/4885CA2 3900/4885CA1 4333/4885
US-20090030013-A1 SUBSTITUTED TETRAHYDRO-QUINOLINE-SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR7 SMYD3 2193/4885CA2 2348/4885CA1 3146/4885

“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.