SCHEMBL3578281

SCHEMBL3578281

CN1Cc2cncn2C(c2cccc(Br)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RXFP1 Q9HBX9 2/20 0.35
CYP19A1 P11511 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CCR1 P32246 2/20 0.34
MMP2 P08253 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
ALOX15 P16050 1/20 0.34
FPR1 P21462 1/20 0.34
HTT P42858 1/20 0.34
CCR2 P41597 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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 SCHEMBL3567633 0.99 CYP11B1 (0.39) CYP11B1CYP11B2RXFP1CYP19A1ALDH1A1
SCHEMBL3575581 0.85 CYP19A1 (0.46) CYP11B1CYP11B2CYP19A1ALDH1A1LMNA
SCHEMBL3573975 0.84 CYP11B2 (0.52) CYP11B1CYP11B2CYP19A1TSHR
Hydrochloric Acid SCHEMBL3572364 0.83 CYP11B2 (0.51) CYP11B1CYP11B2CYP19A1TSHR
SCHEMBL3569595 0.81 CYP11B1 (0.53) CYP11B1CYP11B2RXFP1ALDH1A1POLB
SCHEMBL3574851 0.81 CYP11B1 (0.44) CYP11B1CYP11B2RXFP1CYP19A1ALDH1A1
SCHEMBL3582097 0.81 CYP11B1 (0.45) CYP11B1CYP11B2RXFP1CYP19A1CCR1
SCHEMBL3566630 0.81 ALDH1A1 (0.38) CYP11B1CYP11B2CYP19A1ALDH1A1LMNA
SCHEMBL3564579 0.80 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1CCR1MMP2
SCHEMBL3568294 0.80 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1CCR1MMP2

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 6/4885RXFP1 1377/4885

“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.