SCHEMBL3566630

SCHEMBL3566630

O=C1C(c2cccc(Br)c2)n2cncc2CN1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
TSHR P16473 3/20 0.37
CYP19A1 P11511 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PAX8 Q06710 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
RORC P51449 1/20 0.35
CYP3A4 P08684 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
Oxalic Acid SCHEMBL3570096 0.95 HRH3 (0.37) ALDH1A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL3573721 0.82 RORC (0.44) ALDH1A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL3578281 0.81 CYP11B1 (0.40) ALDH1A1CYP11B1CYP11B2TSHRCYP19A1
Hydrochloric Acid SCHEMBL3567633 0.80 CYP11B1 (0.39) ALDH1A1CYP11B1CYP11B2TSHRCYP19A1
SCHEMBL3582097 0.78 CYP11B1 (0.45) CYP11B1CYP11B2KMT2ACYP19A1TP53
Hydrochloric Acid SCHEMBL3568030 0.77 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1TP53HRH3
SCHEMBL3569808 0.77 CYP11B2 (0.59) ALDH1A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL3578839 0.76 CYP11B2 (0.60) ALDH1A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL3577749 0.75 CYP11B1 (0.65) CYP11B1CYP11B2KMT2AMEN1TSHR
SCHEMBL3581730 0.75 CYP11B1 (0.47) ALDH1A1CYP11B1CYP11B2KMT2AMEN1

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 ALDH1A1 178/4885CYP11B1 1/4885CYP11B2 6/4885

“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.