Sugi Predict

Sugi Predict / Compounds / SCHEMBL783485

SCHEMBL783485

SCHEMBL783485

Cn1c(=O)oc2cc(F)c(-c3cncc(CO)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.43
▸ CYP2A6 P11509 1/20 0.40
▸ KCNJ1 P48048 1/20 0.38
▸ CYP11B1 P15538 5/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PKM P14618 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GPR55 Q9Y2T6 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
SCHEMBL783373 0.86 CYP2A6 (0.38) CYP11B2CYP2A6CYP11B1PDE10AKMT2A
SCHEMBL782302 0.86 CYP11B2 (0.40) CYP11B2CYP2A6KCNJ1CYP11B1PDE10A
SCHEMBL783473 0.81 CYP11B2 (0.54) CYP11B2KCNJ1CYP11B1KDM4EMEN1
SCHEMBL783487 0.80 KCNJ1 (0.51) CYP11B2KCNJ1CYP11B1PDE10AGPR55
SCHEMBL782295 0.77 CYP11B2 (0.43) CYP11B2MEN1KMT2APKMLMNA
SCHEMBL805384 0.76 MEN1 (0.43) CYP11B2MEN1KMT2APKMLMNA
SCHEMBL782527 0.71 GPR55 (0.43) CYP11B2KCNJ1GPR55
SCHEMBL782500 0.71 KCNJ1 (0.50) CYP11B2KCNJ1PDE10AGPR55
SCHEMBL16014515 0.69 CYP11B1 (0.65) CYP11B2CYP11B1
SCHEMBL17766354 0.67 CYP11B2 (0.39) CYP11B2KDM4EMEN1KMT2ALMNA

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 1/4885CYP2A6 67/4885KCNJ1 630/4885

“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.