SCHEMBL333513

SCHEMBL333513

COc1cc(OC)cc(C(=O)CBr)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.66
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
PTPN1 P18031 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
RXRA P19793 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 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
SCHEMBL5050000 0.89 GSK3B (0.54) GSK3BKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL12876004 0.89 GSK3B (0.58) GSK3BKDM4EGAAALDH1A1PTPN1
SCHEMBL1189829 0.89 GSK3B (0.58) GSK3BKDM4EGAAALDH1A1PTPN1
SCHEMBL9199476 0.88 GSK3B (0.53) GSK3BKDM4EGAAALDH1A1ABCG2
SCHEMBL23360861 0.87 GSK3B (0.56) GSK3BKDM4EGAAALDH1A1PTPN1
SCHEMBL9907157 0.87 GSK3B (0.56) GSK3BKDM4EGAAPTPN1KMT2A
SCHEMBL9198694 0.87 GSK3B (0.51) GSK3BKDM4EGAAALDH1A1ABCG2
SCHEMBL1190303 0.84 GSK3B (0.53) GSK3BKDM4EGAAPTPN1CES2
SCHEMBL9907151 0.84 GSK3B (0.53) GSK3BKDM4EGAAALDH1A1PTPN1
SCHEMBL1189491 0.84 GSK3B (0.53) GSK3BKDM4EGAAALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112209841-B Synthesis method of terbutaline and application of terbutaline in preparation of terbutaline sulfate 扬州中宝药业股份有限公司 2022-03-04 CN claimed
CN-115181082-A Synthetic method of natural molecule Moracin M 江苏集萃分子工程研究院有限公司 2022-10-14 CN disclosed
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
EP-3259256-B1 COMPOUNDS AND METHODS FOR INDUCING BROWNING OF WHITE ADIPOSE TISSUE BEIJING ERAI THERAPEUTICS CO LTD (CN) 2022-03-09 EP disclosed
CN-112209841-B Synthesis method of terbutaline and application of terbutaline in preparation of terbutaline sulfate 扬州中宝药业股份有限公司 2022-03-04 CN disclosed
CN-112209841-B Synthesis method of terbutaline and application of terbutaline in preparation of terbutaline sulfate 扬州中宝药业股份有限公司 2022-03-04 CN disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
CN-106946896-B Furans simultaneously [2,3-d] pyrimidine -4- amine derivative 成都知普莱生物医药科技有限公司 2019-05-21 CN disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 WO disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP 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-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 GSK3B 4403/4885KDM4E 4376/4885GAA 3830/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR GSK3B 4244/4885KDM4E 4358/4885GAA 4471/4885
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 GSK3B 4403/4885KDM4E 4376/4885GAA 3830/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 GSK3B 4628/4885KDM4E 4431/4885GAA 2384/4885

“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.