SCHEMBL2916227

SCHEMBL2916227

N#Cc1ccc(C2SCCn3cncc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.44
CYP11B1 P15538 9/20 0.42
CYP11B2 P19099 9/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2916966 0.79 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL1180028 0.77 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL5571001 0.74 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL5133449 0.74 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL5048062 0.74 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL1768150 0.73 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL1180397 0.72 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL12313924 0.72 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL8236808 0.72 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL12871217 0.72 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415716-B Condensed imidazole derivatives as aldosterone synthase inhibitors SPEEDEL EXPERIMENTA AG 2012-12-12 CN disclosed
US-8076327-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-13 US disclosed
US-8076327-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-13 US disclosed
US-8076327-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-13 US disclosed
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-12-02 US disclosed
US-7799780-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799780-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799780-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-2004657-B1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-09-01 EP disclosed
CN-101415716-A Condensed imidazole derivatives as aldosterone synthase inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-04-22 CN disclosed
US-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2009-01-08 US disclosed
US-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2009-01-08 US disclosed
US-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2009-01-08 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 (2 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-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors CYP11B1, CYP11B2, REN CYP19A1 51/4885CYP11B1 1/4885CYP11B2 2/4885
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, REN CYP19A1 50/4885CYP11B1 1/4885CYP11B2 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.