Sugi Predict

Sugi Predict / Compounds / SCHEMBL1097103

SCHEMBL1097103

SCHEMBL1097103

CC(C)(C)[Si](C)(C)OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 15/20 0.42
▸ NMBR P28336 1/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ENPP2 Q13822 1/20 0.34
▸ BACE1 P56817 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ KCNN4 O15554 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TRPM2 O94759 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ TP53 P04637 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
SCHEMBL8543176 0.95 SIRT2 (0.40) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL7939506 0.94 SIRT2 (0.40) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL1037597 0.88 SIRT2 (0.45) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL1039638 0.86 SIRT2 (0.43) SIRT2NMBRCYP11B1CYP11B2
SCHEMBL1039740 0.85 SIRT2 (0.43) SIRT2NMBRCYP11B1CYP11B2
SCHEMBL10818574 0.82 SIRT2 (0.43) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL14289994 0.82 SIRT2 (0.46) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL7594682 0.81 SIRT2 (0.41) SIRT2MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL14901171 0.80 SIRT2 (0.46) SIRT2NMBRCYP11B1CYP11B2ENPP2
SCHEMBL6674214 0.80 KCNH2 (0.46) SIRT2CYP11B1CYP11B2CYP19A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301931-B1 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-10-16 — — EP disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 — — US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 — — US disclosed
EP-2301931-A1 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2011-03-30 — — EP disclosed
US-20100240641-A1 Aldosterone Synthase and/or 11B-hydroxylase Inhibitors PAPILLON JULIEN 2010-09-23 — — US disclosed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 — — US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 — — US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 — — US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 — — US disclosed
EP-2057163-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE Novartis AG (CH) 2009-05-13 — — EP disclosed
EP-2029604-A2 ALDOSTERONE SYNTHASE AND/OR 11BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-03-04 — — EP disclosed
WO-2008027284-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE NOVARTIS AG (CH) 2008-03-06 — — WO disclosed
WO-2007139992-A2 ALDOSTERONE SYNTHASE AND/OR 11β-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2007-12-06 — — WO disclosed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 — — EP disclosed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 — — US disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 — — US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 — — EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 — — WO disclosed
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 — — US disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 — — 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 (4 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-20100240641-A1 Aldosterone Synthase and/or 11B-hydroxylase Inhibitors HSD11B1, HSD11B2, CYP11B1 SIRT2 2223/4885NMBR 2978/4885CYP11B1 3/4885
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 SIRT2 4371/4885NMBR 4542/4885CYP11B1 1/4885
US-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 SIRT2 3959/4885NMBR 4788/4885CYP11B1 12/4885
US-20090264420-A1 ORGANIC COMPOUNDS CYP17A1, CYP11B1, CYP46A1 SIRT2 4257/4885NMBR 4313/4885CYP11B1 2/4885

“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.