SCHEMBL3577908

SCHEMBL3577908

O=C1C(c2cccc(Br)c2)n2cncc2CN1Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
RORC P51449 5/20 0.41
MAP3K5 Q99683 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE1C Q14123 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAS2R8 Q9NYW2 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
Hydrochloric Acid SCHEMBL3575524 0.99 CYP11B1 (0.52) CYP11B1CYP11B2RORCMAP3K5FNTA
SCHEMBL3575388 0.91 CYP11B2 (0.54) CYP11B1CYP11B2RORCMAP3K5KMT2A
Hydrochloric Acid SCHEMBL3568979 0.90 CYP11B2 (0.53) CYP11B1CYP11B2RORCMAP3K5FNTA
SCHEMBL3577749 0.90 CYP11B1 (0.65) CYP11B1CYP11B2RORCFNTAFNTB
SCHEMBL8358456 0.89 CYP11B1 (0.54) CYP11B1CYP11B2RORCFNTAFNTB
Hydrochloric Acid SCHEMBL3565591 0.89 CYP11B1 (0.64) CYP11B1CYP11B2RORCFNTAFNTB
SCHEMBL3575955 0.88 CYP11B1 (0.53) CYP11B1CYP11B2RORCMAP3K5RXFP1
SCHEMBL3569464 0.88 CYP11B1 (0.51) CYP11B1CYP11B2RORCMEN1KMT2A
Hydrochloric Acid SCHEMBL3575571 0.87 CYP11B1 (0.52) CYP11B1CYP11B2RORCMAP3K5RXFP1
SCHEMBL3575827 0.87 CYP11B1 (0.54) CYP11B1CYP11B2RORCRXFP1MEN1

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 6/4885RORC 711/4885

“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.