SCHEMBL2914446

SCHEMBL2914446

N#Cc1ccc(C(SCC(=O)O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
EP300 Q09472 6/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 1/20 0.34
SIRT2 Q8IXJ6 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PHGDH O43175 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
EEF2K O00418 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
SCHEMBL2787652 0.83 CYP19A1 (0.36) CYP19A1PHGDHACSS2
SCHEMBL2787655 0.83 CYP19A1 (0.36) CYP19A1PHGDHACSS2
SCHEMBL2917462 0.81 PTGDR2 (0.35) EP300MAPTKDM4EGAAL3MBTL1
SCHEMBL8156285 0.78 TSHR (0.37) CYP19A1SIRT2PHGDHACSS2
SCHEMBL7848579 0.77 CPB2 (0.43) SIRT2
SCHEMBL8147915 0.76 FNTA (0.36) CYP19A1SIRT2ACSS2
SCHEMBL8147914 0.76 FNTA (0.36) CYP19A1SIRT2ACSS2
SCHEMBL2913313 0.75 SIRT2 (0.35) GAAL3MBTL1SIRT2SMN1; SMN2
SCHEMBL2909984 0.74 SIRT2 (0.34) SIRT2
SCHEMBL4756365 0.74 SIRT2 (0.40) CYP19A1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2009-01-08 US disclosed
EP-2004657-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-12-24 EP disclosed
WO-2007116097-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS 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 (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 HTT 4809/4885EP300 449/4885MAPT 3834/4885
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, REN HTT 4813/4885EP300 457/4885MAPT 3844/4885

“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.