SCHEMBL3578304

SCHEMBL3578304

O=C1C(c2cccc(-c3ccccc3)c2)n2cncc2CN1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.66
CYP11B1 P15538 4/20 0.66
CYP3A4 P08684 2/20 0.41
DHPS P49366 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FNTA P49354 2/20 0.34
PGGT1B P53609 1/20 0.34
MAPT P10636 1/20 0.34
ENPP2 Q13822 1/20 0.34
FNTB P49356 1/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 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
SCHEMBL3568006 0.94 CYP11B2 (0.60) CYP11B2CYP11B1CYP3A4DHPSHPGD
Hydrochloric Acid SCHEMBL3562096 0.93 CYP11B2 (0.59) CYP11B2CYP11B1CYP3A4DHPSMAPK1
SCHEMBL3572398 0.90 CYP11B2 (0.79) CYP11B2CYP11B1CYP3A4DHPSHPGD
Hydrochloric Acid SCHEMBL3572437 0.89 CYP11B2 (0.78) CYP11B2CYP11B1CYP3A4DHPSHPGD
SCHEMBL3577749 0.88 CYP11B1 (0.65) CYP11B2CYP11B1CYP3A4HPGDTSHR
Hydrochloric Acid SCHEMBL3565591 0.87 CYP11B1 (0.64) CYP11B2CYP11B1CYP3A4HPGDTSHR
SCHEMBL3575429 0.85 CYP11B2 (0.80) CYP11B2CYP11B1CYP3A4FNTAPGGT1B
SCHEMBL13316211 0.85 CYP11B2 (0.62) CYP11B2CYP11B1CYP3A4DHPSHPGD
SCHEMBL3571246 0.83 CYP11B2 (0.67) CYP11B2CYP11B1CYP3A4CYP19A1FNTA
SCHEMBL8360541 0.82 CYP11B2 (0.75) CYP11B2CYP11B1CYP3A4DHPSHPGD

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 15 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 claimed
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
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
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
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 CYP11B2 6/4885CYP11B1 1/4885CYP3A4 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.