SCHEMBL1038484

SCHEMBL1038484

COC(=O)C(c1ccc(C#N)cc1Cl)n1cncc1CCOS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 3/20 0.41
NR3C2 P08235 8/20 0.39
NR3C1 P04150 3/20 0.39
CYP19A1 P11511 1/20 0.37
FNTA P49354 4/20 0.34
FNTB P49356 4/20 0.34
PGGT1B P53609 2/20 0.33
EEF2K O00418 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL17894246 0.90 CYP11B2 (0.39) CYP11B2CYP11B1NR3C2NR3C1FNTA
SCHEMBL13563925 0.88 CYP11B2 (0.45) CYP11B2CYP11B1NR3C2NR3C1CYP19A1
SCHEMBL1039260 0.87 CYP11B2 (0.45) CYP11B2CYP11B1NR3C2NR3C1CYP19A1
SCHEMBL14562264 0.84 CYP11B2 (0.40) CYP11B2CYP11B1NR3C2NR3C1CYP19A1
SCHEMBL17894300 0.80 SLC6A9 (0.35) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3465188 0.78 GABRA1 (0.36) CYP11B2CYP11B1LMNASMN1; SMN2
SCHEMBL19763074 0.77 CYP11B2 (0.43) CYP11B2CYP11B1NR3C2NR3C1CYP19A1
SCHEMBL17894243 0.76 CYP11B2 (0.42) CYP11B2CYP11B1NR3C2NR3C1FNTA
SCHEMBL17894240 0.74 CYP11B2 (0.38) CYP11B2CYP11B1NR3C2NR3C1FNTA
SCHEMBL3466250 0.74 CYP11B2 (0.44) CYP11B2CYP11B1NR3C2CYP19A1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US disclosed
EP-1919916-B1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2013-04-03 EP disclosed
US-8314097-B2 Organic compounds NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 EP disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
EP-1919916-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE Novartis AG (CH) 2008-05-14 EP disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
WO-2007024945-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2007-03-01 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP11B1 5/4885NR3C2 61/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP11B1 5/4885NR3C2 61/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP11B1 5/4885NR3C2 61/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP11B1 5/4885NR3C2 61/4885

“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.