SCHEMBL782587

SCHEMBL782587

Cn1c(=O)oc2ccc(-c3cncc(C(C)(C)O)c3)cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.52
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
GPR55 Q9Y2T6 2/20 0.43
KCNJ1 P48048 3/20 0.43
CYP11B1 P15538 3/20 0.39
TSPO P30536 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
SCD5 Q86SK9 1/20 0.37
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP19A1 P11511 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL801469 0.80 GPR55 (0.54) CYP11B2GPR55KCNJ1CYP11B1
SCHEMBL783487 0.79 KCNJ1 (0.51) CYP11B2GPR55KCNJ1CYP11B1
SCHEMBL782371 0.78 CYP11B2 (0.64) CYP11B2GPR55KCNJ1CYP11B1SCD5
SCHEMBL782507 0.78 CYP11B2 (0.48) CYP11B2GPR55KCNJ1SCD5
SCHEMBL783358 0.78 CYP11B2 (0.49) CYP11B2GPR55KCNJ1CYP11B1
SCHEMBL782500 0.77 KCNJ1 (0.50) CYP11B2GPR55KCNJ1
SCHEMBL782484 0.77 CYP11B2 (0.85) CYP11B2GPR55KCNJ1TSPO
SCHEMBL782795 0.77 CYP11B2 (0.47) CYP11B2PIK3CGGPR55KCNJ1CYP11B1
SCHEMBL782551 0.76 CYP11B2 (0.40) CYP11B2GPR55KCNJ1TSPOSCD5
SCHEMBL782951 0.76 CYP19A1 (0.55) CYP11B2GPR55CYP11B1TSPOCYP19A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US 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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 CYP11B2 1/4885PIK3CD 2955/4885PIK3CA 1942/4885

“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.