SCHEMBL3575980

SCHEMBL3575980

O=C1C(c2ccc(Br)cc2)n2cncc2CN1Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.60
CYP11B1 P15538 3/20 0.60
CYP19A1 P11511 2/20 0.39
MDM2 Q00987 2/20 0.38
KCNH2 Q12809 1/20 0.37
GRIN2B Q13224 1/20 0.37
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 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 SCHEMBL3567622 0.99 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MDM2KCNH2
SCHEMBL3572570 0.90 CYP11B1 (0.49) CYP11B2CYP11B1CYP19A1MDM2TP53
SCHEMBL3575270 0.90 CYP11B1 (0.61) CYP11B2CYP11B1CYP19A1MDM2TP53
Hydrochloric Acid SCHEMBL5232172 0.89 CYP11B1 (0.48) CYP11B2CYP11B1CYP19A1MDM2TP53
Hydrochloric Acid SCHEMBL3571529 0.89 CYP11B1 (0.60) CYP11B2CYP11B1CYP19A1MDM2TP53
SCHEMBL3569027 0.89 CYP11B1 (0.75) CYP11B2CYP11B1CYP19A1MDM2
SCHEMBL3568672 0.89 CYP11B1 (0.57) CYP11B2CYP11B1CYP19A1MDM2KCNH2
Hydrochloric Acid SCHEMBL5229773 0.88 CYP11B1 (0.74) CYP11B2CYP11B1CYP19A1MDM2
Hydrochloric Acid SCHEMBL3574896 0.88 CYP11B1 (0.56) CYP11B2CYP11B1CYP19A1MDM2KCNH2
SCHEMBL3575388 0.88 CYP11B2 (0.54) CYP11B2CYP11B1KCNH2TP53ALDH1A1

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 CYP11B2 6/4885CYP11B1 1/4885CYP19A1 78/4885

“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.