SCHEMBL1736018

SCHEMBL1736018

O=C(CCCO)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TBXAS1 P24557 1/20 0.33
ENPP2 Q13822 1/20 0.33
ADA P00813 1/20 0.33
CYP2J2 P51589 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1735234 0.92 CYP11B1 (0.37) SIRT2CYP11B1CYP11B2ENPP2ADA
SCHEMBL7262693 0.90 SIRT2 (0.32) SIRT2TBXAS1ENPP2CYP2J2
SCHEMBL9518341 0.88 FLT3 (0.38) SIRT2
SCHEMBL10457151 0.85 HPGD (0.39) SIRT2CYP11B1CYP11B2L3MBTL1
SCHEMBL8865971 0.84 KCNH2 (0.42) SIRT2ADAMAPT
SCHEMBL9489847 0.82 SIRT2 (0.40) SIRT2CYP11B1CYP11B2ENPP2ADA
SCHEMBL1414901 0.82 SIRT2 (0.40) SIRT2CYP11B1CYP11B2MAPTL3MBTL1
SCHEMBL1483017 0.81 SIRT2 (0.39) SIRT2CYP11B1CYP11B2LMNAMAPT
SCHEMBL5682164 0.79 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2ENPP2ADA
SCHEMBL670904 0.79 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2ENPP2LMNA

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
EP-1681290-B9 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-06-19 EP 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
US-20090118512-A1 Process for Preparing 6,7-Dihydro-5H-Imidazo[1,5-A]Pyridin-8-One SPEEDEL EXPERIMENTA AG (CH) 2009-05-07 US disclosed
EP-2001850-A1 PROCESS FOR PREPARING 6,7-DIHYDRO-5H-IMIDAZOÝ1,5-A¨PYRIDIN-8-ONE Speedel Experimenta AG (CH) 2008-12-17 EP disclosed
WO-2007113235-A1 PROCESS FOR PREPARING 6,7-DIHYDRO-5H-IMIDAZO[1,5-A]PYRIDIN-8-ONE SPEEDEL EXPERIMENTA AG (CH) 2007-10-11 WO 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-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 (3 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-20090118512-A1 Process for Preparing 6,7-Dihydro-5H-Imidazo[1,5-A]Pyridin-8-One ADH1A, ADH1C, ADH5 SIRT2 1338/4885CYP11B1 700/4885CYP11B2 501/4885
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 SIRT2 2146/4885CYP11B1 12/4885CYP11B2 21/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC SIRT2 4191/4885CYP11B1 2481/4885CYP11B2 2915/4885

“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.