Sugi Predict

Sugi Predict / Compounds / SCHEMBL782795

SCHEMBL782795

SCHEMBL782795

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.47
▸ CYP11B1 P15538 2/20 0.45
▸ GPR55 Q9Y2T6 2/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ KCNJ1 P48048 3/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ KDM1A O60341 1/20 0.38

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
SCHEMBL29455568 0.81 CYP11B2 (0.54) CYP11B2CYP11B1GPR55KCNJ1CTSC
SCHEMBL801469 0.81 GPR55 (0.54) CYP11B2CYP11B1GPR55KCNJ1BACE1
SCHEMBL782507 0.79 CYP11B2 (0.48) CYP11B2GPR55KCNJ1
SCHEMBL783358 0.79 CYP11B2 (0.49) CYP11B2CYP11B1GPR55KCNJ1PRMT5
SCHEMBL8190336 0.78 KMO (0.58) GPR55KMOCTSC
SCHEMBL783487 0.78 KCNJ1 (0.51) CYP11B2CYP11B1GPR55KCNJ1PRMT5
SCHEMBL782587 0.77 CYP11B2 (0.52) CYP11B2CYP11B1GPR55KCNJ1PIK3CG
SCHEMBL782371 0.77 CYP11B2 (0.64) CYP11B2CYP11B1GPR55KCNJ1
SCHEMBL782951 0.76 CYP19A1 (0.55) CYP11B2CYP11B1GPR55BACE1
SCHEMBL782500 0.76 KCNJ1 (0.50) CYP11B2GPR55KCNJ1CTSC

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 1/4885CYP11B1 2/4885GPR55 852/4885

“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.