SCHEMBL731847

SCHEMBL731847

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
SLC22A12 Q96S37 7/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
PPARA Q07869 4/20 0.36
CYP19A1 P11511 2/20 0.35
PPARD Q03181 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PTPN5 P54829 1/20 0.34

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
SCHEMBL9119027 0.79 CYP2C9 (0.46) KIF11PPARAPTPN5
SCHEMBL8224210 0.72 KIF11 (0.52) KIF11EPHX2ALDH1A1SLC22A12PRSS1
SCHEMBL6245761 0.71 KIF11 (0.50) KIF11EPHX2ALDH1A1SLC22A12PRSS1
SCHEMBL730392 0.70 PRSS1 (0.38) ALDH1A1PKMSLC22A12PRSS1CTSG
SCHEMBL28846139 0.69 KIF11 (0.48) KIF11EPHX2SLC22A12PPARACYP19A1
SCHEMBL7725823 0.68 KCNN4 (0.51) ALDH1A1
SCHEMBL1067888 0.67 PREP (0.43) KIF11ALDH1A1CYP19A1CA1CA2
SCHEMBL29244941 0.67 KIF11 (0.64) KIF11EPHX2ALDH1A1CYP19A1CA2
SCHEMBL2998724 0.67 KIF11 (0.64) KIF11EPHX2ALDH1A1CYP19A1CA2
SCHEMBL11843274 0.67 KIF11 (0.59) KIF11EPHX2SLC22A12PPARAPTPN5

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 3 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

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-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 KIF11 4033/4885EPHX2 1680/4885ALDH1A1 515/4885

“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.