SCHEMBL3569027

SCHEMBL3569027

O=C1C(c2ccc(Br)cc2)n2cncc2CN1Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.75
CYP11B2 P19099 3/20 0.75
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 2/20 0.40
RORC P51449 2/20 0.39
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MMP2 P08253 1/20 0.36
MDM2 Q00987 3/20 0.36
CLPP Q16740 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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 SCHEMBL5229773 0.99 CYP11B1 (0.74) CYP11B1CYP11B2CYP3A4MEN1KMT2A
SCHEMBL3572398 0.92 CYP11B2 (0.79) CYP11B1CYP11B2CYP3A4HPGDTSHR
Hydrochloric Acid SCHEMBL3572437 0.91 CYP11B2 (0.78) CYP11B1CYP11B2CYP3A4HPGDTSHR
SCHEMBL3575270 0.90 CYP11B1 (0.61) CYP11B1CYP11B2CYP3A4MEN1KMT2A
SCHEMBL3575980 0.89 CYP11B2 (0.60) CYP11B1CYP11B2CYP19A1MDM2
Hydrochloric Acid SCHEMBL3571529 0.89 CYP11B1 (0.60) CYP11B1CYP11B2CYP3A4MEN1KMT2A
SCHEMBL8360541 0.89 CYP11B2 (0.75) CYP11B1CYP11B2CYP3A4MEN1KMT2A
SCHEMBL3577749 0.88 CYP11B1 (0.65) CYP11B1CYP11B2CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL3567622 0.88 CYP11B2 (0.59) CYP11B1CYP11B2CYP19A1MDM2
Hydrochloric Acid SCHEMBL3565591 0.87 CYP11B1 (0.64) CYP11B1CYP11B2CYP3A4MEN1KMT2A

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
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

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.