SCHEMBL312957

SCHEMBL312957

CCOC(=O)CC(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PPID Q08752 1/20 0.36
POLB P06746 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
SCHEMBL1036292 0.88 SIRT2 (0.41) SIRT2FAAHALDH1A1TSHRSMN1; SMN2
SCHEMBL312947 0.86 SIRT2 (0.39) SIRT2ALDH1A1
SCHEMBL5790406 0.84 SIRT2 (0.43) SIRT2SMN1; SMN2
SCHEMBL1312709 0.84 SIRT2 (0.39) SIRT2
SCHEMBL5060964 0.81 LMNA (0.40) SIRT2
SCHEMBL10664135 0.80 SIRT2 (0.41) SIRT2SMN1; SMN2
SCHEMBL10457235 0.79 SIRT2 (0.37) SIRT2
SCHEMBL6777569 0.78 SIRT2 (0.48) SIRT2ALDH1A1
SCHEMBL9518110 0.78 FLT3 (0.39) SIRT2ALDH1A1
SCHEMBL1668519 0.77 TOP2A (0.41) SIRT2ALDH1A1

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 SIRT2 3756/4885FAAH 2812/4885ALDH1A1 1252/4885
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 SIRT2 2146/4885FAAH 1974/4885ALDH1A1 227/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 SIRT2 3753/4885FAAH 2787/4885ALDH1A1 1246/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC SIRT2 4191/4885FAAH 948/4885ALDH1A1 3884/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 SIRT2 3756/4885FAAH 2812/4885ALDH1A1 1252/4885

“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.