Sugi Predict

Sugi Predict / Compounds / SCHEMBL783194

SCHEMBL783194

SCHEMBL783194

Cn1c(=O)oc2ccc(-c3cncc(CNCc4ccccc4)c3)cc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 5/20 0.58
▸ CYP11B2 P19099 1/20 0.43
▸ GPR55 Q9Y2T6 2/20 0.42
▸ ASAH1 Q13510 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TNIK Q9UKE5 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
SCHEMBL783335 0.82 KCNJ1 (0.46) KCNJ1CYP11B2KMT2ASMN1; SMN2
SCHEMBL783483 0.82 KCNJ1 (0.53) KCNJ1CYP11B2GPR55PKMMEN1
SCHEMBL783487 0.82 KCNJ1 (0.51) KCNJ1CYP11B2GPR55TNIK
SCHEMBL782500 0.80 KCNJ1 (0.50) KCNJ1CYP11B2GPR55ALDH1A1TNIK
SCHEMBL10234020 0.79 KCNJ1 (0.49) KCNJ1CYP11B2GPR55PKMMEN1
SCHEMBL782695 0.78 CYP11B2 (0.48) KCNJ1CYP11B2GPR55PKMMEN1
SCHEMBL28989385 0.76 KCNJ1 (0.46) KCNJ1CYP11B2GPR55
SCHEMBL782507 0.76 CYP11B2 (0.48) KCNJ1CYP11B2GPR55ALDH1A1TNIK
SCHEMBL801469 0.75 GPR55 (0.54) KCNJ1CYP11B2GPR55
SCHEMBL21243438 0.74 KCNJ1 (1.00) KCNJ1

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 KCNJ1 630/4885CYP11B2 1/4885GPR55 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.