SCHEMBL3578115

SCHEMBL3578115

C[C@H](c1ccccc1)N1Cc2cncn2[C@H](c2ccc(Br)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.45
CYP11B2 P19099 8/20 0.45
CYP3A4 P08684 5/20 0.39
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MDM2 Q00987 1/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 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
SCHEMBL3567442 1.00 CYP11B1 (0.45) CYP11B1CYP11B2CYP3A4CYP19A1ALDH1A1
SCHEMBL3570956 1.00 CYP11B1 (0.45) CYP11B1CYP11B2CYP3A4CYP19A1ALDH1A1
SCHEMBL3567431 1.00 CYP11B1 (0.45) CYP11B1CYP11B2CYP3A4CYP19A1ALDH1A1
SCHEMBL3579225 1.00 CYP11B1 (0.45) CYP11B1CYP11B2CYP3A4CYP19A1ALDH1A1
SCHEMBL3563209 1.00 CYP11B1 (0.45) CYP11B1CYP11B2CYP3A4CYP19A1ALDH1A1
SCHEMBL5772041 0.89 CYP11B1 (0.38) CYP11B1CYP11B2CYP3A4CYP19A1ALDH1A1
SCHEMBL3564579 0.89 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1TDP1
SCHEMBL3568294 0.89 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1TDP1
SCHEMBL3569151 0.89 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1TDP1
SCHEMBL3569834 0.89 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP claimed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP claimed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 US claimed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP claimed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO claimed
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 CYP11B1 1/4885CYP11B2 6/4885CYP3A4 106/4885

“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.