SCHEMBL3578563

SCHEMBL3578563

C[SiH](C)OC(c1cncn1C(C(=O)O)c1ccc(C#N)cc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.36
FNTB P49356 10/20 0.36
PGGT1B P53609 7/20 0.36
HTT P42858 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
SLC22A12 Q96S37 1/20 0.34
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNA5 P22460 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
SCHEMBL3568027 0.85 HTT (0.51) FNTAFNTBPGGT1BHTTCYP11B1
SCHEMBL5226182 0.78 FNTA (0.35) FNTAFNTBPGGT1BHTTCYP11B1
SCHEMBL6906268 0.75 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8812550 0.73 CYP19A1 (0.39) CYP11B1CYP11B2
SCHEMBL3578566 0.73 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7714943 0.72 CYP11B1 (0.38) FNTAFNTBCYP11B1CYP11B2SLC22A12
SCHEMBL1097391 0.71 KCNA5 (0.31) L3MBTL1KCNA5
SCHEMBL5227451 0.67 HTT (0.46) FNTAFNTBHTTCYP11B1CYP11B2
SCHEMBL2647129 0.67 FNTA (0.31) FNTAFNTBPGGT1B
SCHEMBL3978875 0.65 CYP11B1 (0.38) CYP11B1CYP11B2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 FNTA 1605/4885FNTB 1408/4885PGGT1B 2875/4885

“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.