SCHEMBL3575827

SCHEMBL3575827

O=C1C(c2cccc(Br)c2)n2cncc2CN1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
COMT P21964 1/20 0.37
CYP1B1 Q16678 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL3577749 0.91 CYP11B1 (0.65) CYP11B1CYP11B2MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL3565591 0.90 CYP11B1 (0.64) CYP11B1CYP11B2MEN1KMT2ACYP3A4
SCHEMBL3566875 0.90 CYP11B1 (0.56) CYP11B1CYP11B2MEN1KMT2ACYP3A4
SCHEMBL3575955 0.87 CYP11B1 (0.53) CYP11B1CYP11B2MEN1KMT2ACYP1A2
SCHEMBL3577908 0.87 CYP11B1 (0.53) CYP11B1CYP11B2MEN1KMT2ARXFP1
SCHEMBL3575640 0.87 CYP11B1 (0.55) CYP11B1CYP11B2MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL3575524 0.86 CYP11B1 (0.52) CYP11B1CYP11B2MEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL3575571 0.86 CYP11B1 (0.52) CYP11B1CYP11B2MEN1KMT2ACYP1A2
SCHEMBL3575388 0.86 CYP11B2 (0.54) CYP11B1CYP11B2KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3570711 0.86 CYP11B1 (0.54) CYP11B1CYP11B2MEN1KMT2ACYP3A4

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 CYP11B1 1/4885CYP11B2 6/4885GABRA1 2590/4885

“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.