SCHEMBL3568672

SCHEMBL3568672

O=C1C(c2ccc(Br)cc2)n2cncc2CN1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.57
CYP11B2 P19099 4/20 0.57
CYP3A4 P08684 2/20 0.46
MDM2 Q00987 2/20 0.39
IDO1 P14902 1/20 0.39
CYP19A1 P11511 2/20 0.37
COMT P21964 1/20 0.34
PARK7 Q99497 1/20 0.33
HDAC1 Q13547 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHIT1 Q13231 1/20 0.33
CHIA Q9BZP6 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
Hydrochloric Acid SCHEMBL3574896 0.99 CYP11B1 (0.56) CYP11B1CYP11B2CYP3A4MDM2IDO1
SCHEMBL3575980 0.89 CYP11B2 (0.60) CYP11B1CYP11B2MDM2CYP19A1KCNH2
SCHEMBL3573743 0.88 CYP11B1 (0.52) CYP11B1CYP11B2CYP3A4IDO1COMT
Hydrochloric Acid SCHEMBL3567622 0.88 CYP11B2 (0.59) CYP11B1CYP11B2MDM2CYP19A1KCNH2
Hydrochloric Acid SCHEMBL3573955 0.88 CYP11B1 (0.51) CYP11B1CYP11B2CYP3A4IDO1COMT
SCHEMBL3575270 0.87 CYP11B1 (0.61) CYP11B1CYP11B2CYP3A4MDM2CYP19A1
SCHEMBL3578755 0.87 CYP11B1 (0.77) CYP11B1CYP11B2CYP3A4CYP19A1KCNH2
Hydrochloric Acid SCHEMBL3571529 0.86 CYP11B1 (0.60) CYP11B1CYP11B2CYP3A4MDM2CYP19A1
Hydrochloric Acid SCHEMBL3574873 0.86 CYP11B1 (0.75) CYP11B1CYP11B2CYP3A4CYP19A1KCNH2
SCHEMBL3569027 0.86 CYP11B1 (0.75) CYP11B1CYP11B2CYP3A4MDM2CYP19A1

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 9 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-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
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-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
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 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.