SCHEMBL3570953

SCHEMBL3570953

O=C1C(c2cccc(Br)c2)n2cncc2CN1CCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.44
CYP11B1 P15538 2/20 0.44
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP3K5 Q99683 1/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
RORC P51449 2/20 0.32
ACHE P22303 1/20 0.32

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 SCHEMBL3577768 0.99 CYP11B2 (0.43) CYP11B2CYP11B1KMT2ARXFP1HSD17B10
SCHEMBL3575388 0.91 CYP11B2 (0.54) CYP11B2CYP11B1KMT2AMAP3K5TP53
SCHEMBL3569595 0.91 CYP11B1 (0.53) CYP11B2CYP11B1KMT2ARXFP1MEN1
SCHEMBL3568299 0.90 CYP11B1 (0.46) CYP11B2CYP11B1KMT2ARXFP1TP53
SCHEMBL3574851 0.90 CYP11B1 (0.44) CYP11B2CYP11B1KMT2ARXFP1MAP3K5
Hydrochloric Acid SCHEMBL3568979 0.90 CYP11B2 (0.53) CYP11B2CYP11B1KMT2AMAP3K5TP53
Hydrochloric Acid SCHEMBL3562158 0.90 CYP11B1 (0.52) CYP11B2CYP11B1KMT2ARXFP1MEN1
Hydrochloric Acid SCHEMBL3568370 0.89 CYP11B1 (0.43) CYP11B2CYP11B1KMT2ARXFP1MAP3K5
Hydrochloric Acid SCHEMBL3563239 0.89 CYP11B1 (0.46) CYP11B2CYP11B1KMT2ARXFP1TP53
SCHEMBL3572570 0.88 CYP11B1 (0.49) CYP11B2CYP11B1KMT2ARXFP1MDM2

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 11 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-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

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 CYP11B2 6/4885CYP11B1 1/4885KMT2A 4294/4885

“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.