SCHEMBL2915674

SCHEMBL2915674

N#Cc1ccc(C(O)(c2ccc(C#N)cc2)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
ACSS2 Q9NR19 1/20 0.41
CYP19A1 P11511 3/20 0.39
KIF11 P52732 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 4/20 0.35
PTPN5 P54829 1/20 0.35
TSHR P16473 1/20 0.34
ENPP2 Q13822 1/20 0.33
KMT2A Q03164 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
SCHEMBL7981909 0.94 ACSS2 (0.38) CYP3A4CYP3A5ACSS2CYP19A1
SCHEMBL2918068 0.88 CYP19A1 (0.39) CYP3A4CYP3A5ACSS2CYP19A1KIF11
SCHEMBL4032019 0.78 ACSS2 (0.38) CYP3A4ACSS2FNTAFNTBMEN1
SCHEMBL7984249 0.78 S1PR3 (0.38) CYP3A4CYP3A5CYP19A1
SCHEMBL5689382 0.77 CYP17A1 (0.43) CYP3A4ACSS2FNTAFNTBMEN1
SCHEMBL914557 0.75 CYP3A4 (0.57) CYP3A4CYP3A5ACSS2CYP19A1KIF11
SCHEMBL2787655 0.75 CYP19A1 (0.36) CYP3A4ACSS2CYP19A1CYP11B1CYP11B2
SCHEMBL2916350 0.75 PRKAA2 (0.37) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL2787652 0.75 CYP19A1 (0.36) CYP3A4ACSS2CYP19A1CYP11B1CYP11B2
SCHEMBL4027429 0.75 ACSS2 (0.36) ACSS2FNTAFNTBMEN1KMT2A

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 CYP3A4 120/4885CYP3A5 79/4885ACSS2 200/4885
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, REN CYP3A4 115/4885CYP3A5 78/4885ACSS2 210/4885

“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.