SCHEMBL730392

SCHEMBL730392

CC(C)(C)[Si](C)(C)OC(C(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
CTSG P08311 2/20 0.38
CTRB1 P17538 2/20 0.38
CMA1 P23946 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
NR3C1 P04150 1/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
SLC22A12 Q96S37 6/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 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
SCHEMBL7724615 0.86 HTT (0.40) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL3232420 0.82 ATM (0.42) KDM4EL3MBTL1ALDH1A1
SCHEMBL7567010 0.82 ATM (0.42) KDM4EL3MBTL1ALDH1A1
SCHEMBL8405171 0.82 ATM (0.42) KDM4EL3MBTL1ALDH1A1
SCHEMBL7570004 0.81 PPARG (0.44) MAPT
SCHEMBL3735338 0.79 NPSR1 (0.44) TSHRMAPTKDM4EL3MBTL1HTT
SCHEMBL8545984 0.77 CYP19A1 (0.38) TSHRNR3C1ALDH1A1CYP19A1
SCHEMBL6771725 0.74 TSHR (0.58) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL14762666 0.73 MAPT (0.44) TSHRMAPTKDM4EGAAL3MBTL1
SCHEMBL1226980 0.72 CYP19A1 (0.34) TSHRMAPTHTTGSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 EP disclosed
EP-2007771-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-04-07 EP disclosed
US-20090192149-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2007771-A1 IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2008-12-31 EP disclosed
EP-2007770-A1 IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2008-12-31 EP disclosed
WO-2007116101-A1 IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 WO disclosed
WO-2007116099-A1 IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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-20090192149-A1 Imidazo Compounds CYP19A1, CYP11B2, GPER1 PRSS1 3384/4885CTSG 3157/4885CTRB1 1209/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 PRSS1 755/4885CTSG 4468/4885CTRB1 995/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 PRSS1 854/4885CTSG 4408/4885CTRB1 1451/4885

“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.