SCHEMBL5586144

SCHEMBL5586144

CNS(=O)(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL5181697 0.97 CA1 (0.48) FKBP1ACA1CA2POLBKMT2A
SCHEMBL12765348 0.94
SCHEMBL12765346 0.88
Trifluoroacetic Acid SCHEMBL31726675 0.80 FKBP1A (0.37) FKBP1ACA1CA2POLBKMT2A
SCHEMBL8212032 0.79 SMN1; SMN2 (0.41) POLBKMT2ATSHRL3MBTL1HSD17B10
SCHEMBL1446073 0.77 CA12 (0.54) POLBTSHRL3MBTL1
SCHEMBL1378156 0.77
SCHEMBL1022600 0.77 KDM4E (0.46) POLBKMT2ATSHRMAPK1KDM4E
SCHEMBL1376664 0.77 FKBP1A (0.32) FKBP1A
SCHEMBL9988905 0.75 FKBP1A (0.33) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555189-B Zanthoxylum nitidum base derivatives as inhibitors of topoisomerase IB (TOP 1) and/or tyrosyl-DNA phosphodiesterase 1 (TDP 1) 美国政府健康及人类服务部 2024-08-02 CN disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
EP-4006028-A1 IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR Zhuhai Yufan Biotechnologies Co., Ltd (CN) 2022-06-01 EP disclosed
EP-3307738-B1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE UNIV MICHIGAN REGENTS (US) 2022-04-20 EP disclosed
US-10968199-B2 Cycloalkyl-containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-20200062727-A1 CYCLOALKYL-CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-02-27 US disclosed
US-10544146-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2020-01-28 US disclosed
US-10030019-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2018-07-24 US disclosed
EP-3150600-B1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR QILU PHARMACEUTICAL CO LTD (CN) 2018-06-27 EP disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
WO-2008021733-A2 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
CN-101061113-A 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2007-10-24 CN disclosed
EP-1817311-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-15 EP disclosed
WO-2006057945-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-01 WO disclosed
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 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 (8 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-10544146-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors NR0B1, NR2E1, NR0B2 FKBP1A 2803/4885CA1 2376/4885CA2 1571/4885
US-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT FKBP1A 3508/4885CA1 4558/4885CA2 4344/4885
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease BACE1, BACE2, PSEN2 FKBP1A 2162/4885CA1 2016/4885CA2 3031/4885
US-20200062727-A1 CYCLOALKYL-CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, BCL2, AIFM1 FKBP1A 1310/4885CA1 3839/4885CA2 4202/4885
US-10030019-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors NR0B1, NR2E1, NR0B2 FKBP1A 2803/4885CA1 2376/4885CA2 1571/4885
US-10968199-B2 Cycloalkyl-containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, BCL2, AIFM1 FKBP1A 1310/4885CA1 3839/4885CA2 4202/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 FKBP1A 3485/4885CA1 3105/4885CA2 952/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF FKBP1A 2099/4885CA1 4020/4885CA2 2999/4885

“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.