SCHEMBL4729435

SCHEMBL4729435

Cc1cc(C)nc(C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.37
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
NOS1 P29475 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
HTT P42858 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NUDT1 P36639 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12257766 0.85 KDM4E (0.39) POLBAPOBEC3GMAPTALDH1A1NOS3
SCHEMBL2718532 0.83 NOS3 (0.48) POLBMAPTALDH1A1NOS3NOS2
SCHEMBL29770713 0.83 LMNA (0.42) POLBAPOBEC3GLMNAALDH1A1ABCC9
SCHEMBL25530017 0.83 HSP90AA1 (0.32) POLBAPOBEC3GMAPTABCC9ABCC8
SCHEMBL2625503 0.83 LMNA (0.42) POLBAPOBEC3GLMNAALDH1A1ABCC9
SCHEMBL1938903 0.83 NUDT1 (0.35) POLBAPOBEC3GLMNAALDH1A1ABCC9
SCHEMBL5219701 0.83 ALDH1A1 (0.33) POLBAPOBEC3GMAPTALDH1A1ABCC9
SCHEMBL10220279 0.79 ALDH1A1 (0.43) LMNAALDH1A1HTTSMN1; SMN2NUDT1
SCHEMBL18469231 0.79 NOS3 (0.44) LMNANOS3NOS2NOS1NUDT1
SCHEMBL22249889 0.79 NOS3 (0.39) NOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2022-06-14 US disclosed
US-20210300907-A1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC. (CA) 2021-09-30 US disclosed
US-20210188825-A1 COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC. (CA) 2021-06-24 US disclosed
US-10906894-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of g protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2021-02-02 US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7498341-B2 antidiabetic agents; type 2 diabetes SANOFI AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-03 US disclosed
US-7498341-B2 antidiabetic agents; type 2 diabetes SANOFI AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-03 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-7402548-B2 Benzoxazole compounds, process for producing the same and herbicides KYOYU AGRI CO., LTD. (JP) 2008-07-22 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
US-7300921-B2 Polyene polyketides and methods of production ECOPIA BIOSCIENCES, INC. (CA) 2007-11-27 US disclosed
US-7300921-B2 Polyene polyketides and methods of production ECOPIA BIOSCIENCES, INC. (CA) 2007-11-27 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 (10 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A POLB 1149/4885APOBEC3G 3252/4885MAPT 444/4885
US-20210300907-A1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 GPR119, GPR3, GPR39 POLB 4176/4885APOBEC3G 3758/4885MAPT 4178/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS POLB 3205/4885APOBEC3G 4319/4885MAPT 3664/4885
US-20210188825-A1 COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 GPR119, GPR27, GCGR POLB 3668/4885APOBEC3G 4334/4885MAPT 4847/4885
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR27, GCGR POLB 3668/4885APOBEC3G 4334/4885MAPT 4847/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 POLB 4176/4885APOBEC3G 3758/4885MAPT 4178/4885
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC POLB 972/4885APOBEC3G 1697/4885MAPT 959/4885
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR POLB 4347/4885APOBEC3G 4557/4885MAPT 2302/4885
US-10906894-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of g protein-coupled receptor 119 GPR119, GPR3, GPR39 POLB 4176/4885APOBEC3G 3758/4885MAPT 4178/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C POLB 2079/4885APOBEC3G 4681/4885MAPT 3021/4885

“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.