SCHEMBL1005804

SCHEMBL1005804

COC(=O)c1cc(C)cc(O)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
POLB P06746 5/20 0.50
KDM4E B2RXH2 7/20 0.49
RECQL P46063 2/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
CNR2 P34972 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43

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
Hydrochloric Acid SCHEMBL9274722 0.98 GAA (0.50) GAAPOLBKDM4ERECQLCA12
SCHEMBL6118855 0.88 KDM4E (0.55) GAAPOLBKDM4ECA12CA1
SCHEMBL505337 0.83 KDM4E (0.50) GAAPOLBKDM4ETSHRALDH1A1
SCHEMBL5094601 0.83 KDM4E (0.63) GAAPOLBKDM4ETSHRALDH1A1
SCHEMBL6118859 0.81 KDM4E (0.49) GAAPOLBKDM4ETSHRALDH1A1
SCHEMBL855638 0.81 GAA (0.53) GAAPOLBKDM4ERECQLCA12
SCHEMBL24104384 0.80 GAA (0.56) GAAPOLBKDM4ECA12CA1
SCHEMBL3531504 0.80 KDM4E (0.47) GAAPOLBKDM4ETSHRALDH1A1
SCHEMBL1003428 0.80 ABL1 (0.53) GAAPOLBKDM4ECA12CA1
SCHEMBL6119775 0.80 GAA (0.50) GAAPOLBKDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933081-B Sweet flavor modifier SENOMYX, INC. (US) 2016-04-13 CN disclosed
CN-102812003-B Pyrrolidine Or Thiazolidine Carboxylic Acid Derivatives, Pharmaceutical Composition And Methods For Use In Treating Metabolic Disordersas As Agonists Of G- Protein Coupled Receptor 43 (GPR43) EUROSCREEN SA 2015-01-21 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed
CN-1953972-A 1-amino-phthalazine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2007-04-25 CN disclosed
CN-1341592-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341590-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341593-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1271363-A 3' -N-modified 6-O-substituted erythromycin ketolide derivatives having antibacterial activity ABBOTT LAB (US) 2000-10-25 CN disclosed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN 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 (1 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A GAA 2943/4885POLB 1879/4885KDM4E 2017/4885

“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.