SCHEMBL3575388

SCHEMBL3575388

O=C1C(c2cccc(Br)c2)n2cncc2CN1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.54
CYP11B1 P15538 2/20 0.54
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RORC P51449 4/20 0.35
TP53 P04637 1/20 0.35
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAP3K5 Q99683 1/20 0.34
MAPK1 P28482 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 SCHEMBL3568979 0.99 CYP11B2 (0.53) CYP11B2CYP11B1KMT2ASIGMAR1ALDH1A1
SCHEMBL3570953 0.91 CYP11B2 (0.44) CYP11B2CYP11B1KMT2ARORCTP53
SCHEMBL3577908 0.91 CYP11B1 (0.53) CYP11B2CYP11B1KMT2ARORCMAP3K5
SCHEMBL3575640 0.91 CYP11B1 (0.55) CYP11B2CYP11B1KMT2ARORCTP53
SCHEMBL3577749 0.91 CYP11B1 (0.65) CYP11B2CYP11B1KMT2ARORCTP53
Hydrochloric Acid SCHEMBL3577768 0.90 CYP11B2 (0.43) CYP11B2CYP11B1KMT2ARORCTP53
Hydrochloric Acid SCHEMBL3575524 0.90 CYP11B1 (0.52) CYP11B2CYP11B1KMT2ARORCMAP3K5
SCHEMBL3569003 0.90 CYP11B1 (0.54) CYP11B2CYP11B1KMT2AALDH1A1RORC
Hydrochloric Acid SCHEMBL3570711 0.90 CYP11B1 (0.54) CYP11B2CYP11B1KMT2ARORCTP53
Hydrochloric Acid SCHEMBL3565591 0.90 CYP11B1 (0.64) CYP11B2CYP11B1KMT2ARORCTP53

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 1/4885KMT2A 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.