SCHEMBL312834

SCHEMBL312834

CC(C)N(C(=O)c1ccc2cc(C(O)(CCO)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
SIRT2 Q8IXJ6 10/20 0.35
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
MAPK14 Q16539 2/20 0.32
PTPN1 P18031 1/20 0.32
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCL2L1 Q07817 1/20 0.31
ACSS2 Q9NR19 1/20 0.31

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
SCHEMBL312239 0.86 SIRT2 (0.36) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1415049 0.85 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL313034 0.85 CYP17A1 (0.43) SIRT2PTPN1ACSS2
SCHEMBL312882 0.85 CYP17A1 (0.43) SIRT2PTPN1ACSS2
SCHEMBL312503 0.78 HPGD (0.42) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL4023825 0.78 CYP17A1 (0.40) SIRT2ACSS2
SCHEMBL4033375 0.78 CYP17A1 (0.43) SIRT2PTPN1ACSS2
SCHEMBL4026461 0.77 CYP17A1 (0.41) MAPTSIRT2ACSS2
SCHEMBL4028443 0.77 CYP17A1 (0.42) SIRT2PTPN1ACSS2
SCHEMBL313417 0.77 TNF (0.37) SIRT2SLC6A4MAPK14KCNH2ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
EP-1681290-B9 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-06-19 EP disclosed
EP-1471056-B1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-07-11 EP disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
EP-1681290-B1 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2011-11-16 EP disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
EP-2275411-A2 Reformatsky Reagent in Stable Form and Process for Producing the Same Takeda Pharmaceutical Company Limited (JP) 2011-01-19 EP disclosed
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-7662974-B2 reduction of carboxylic acid ester using metal hydride complexes and metal halides to form compounds such as ethyl (3S)-3-hydroxy-3-{6-[(methylamino)carbonyl]-2-naphthyl}-3-(1-trityl-1H-imidazol-4-yl)propanoate, used as lyase enzyme inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-16 US disclosed
US-7141598-B2 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2006-11-28 US disclosed
EP-1681290-A2 Imidazole derivatives, production method thereof and use thereof Takeda Pharmaceutical Company Limited (JP) 2006-07-19 EP disclosed
EP-1334106-B1 IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-24 EP disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 US disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1334106-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
WO-2002040484-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 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 (5 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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 KDM4E 1183/4885ALDH1A1 1252/4885LMNA 4293/4885
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 KDM4E 2244/4885ALDH1A1 227/4885LMNA 3296/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 KDM4E 1184/4885ALDH1A1 1246/4885LMNA 4296/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC KDM4E 3281/4885ALDH1A1 3884/4885LMNA 2598/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 KDM4E 1183/4885ALDH1A1 1252/4885LMNA 4293/4885

“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.