SCHEMBL3571192

SCHEMBL3571192

COC(=O)CC(c1ccc(C#N)cc1)n1cncc1C=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
KCNA5 P22460 3/20 0.45
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FNTA P49354 5/20 0.37
FNTB P49356 5/20 0.37
IDO1 P14902 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP19A1 P11511 1/20 0.34
PGGT1B P53609 1/20 0.34

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
SCHEMBL3571215 0.83 HTT (0.58) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL3568027 0.78 HTT (0.51) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL3568025 0.77 HTT (0.50) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL16731892 0.76 CYP11B1 (0.52) CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL7505048 0.76 CYP11B1 (0.52) CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL5227451 0.74 HTT (0.46) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL3568129 0.72 CYP11B1 (0.45) CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL6908594 0.70 CYP11B1 (0.38) CYP11B1CYP11B2MAPTKDM4EGAA
SCHEMBL3465562 0.69 CYP11B2 (0.41) CYP11B1CYP11B2IDO1EGLN1CYP19A1
SCHEMBL22076577 0.69 HTT (0.62) HTTCYP11B1CYP11B2KCNA5MAPT

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 6 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-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP 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
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 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 (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 HTT 4875/4885CYP11B1 1/4885CYP11B2 6/4885

“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.