SCHEMBL782695

SCHEMBL782695

Cn1c(=O)oc2ccc(-c3cncc(CNS(=O)(=O)CC(F)(F)F)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.48
KCNJ1 P48048 3/20 0.47
GPR55 Q9Y2T6 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
GAK O14976 1/20 0.37
STK16 O75716 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
TSPO P30536 1/20 0.35
GLA P06280 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
SCHEMBL783483 0.89 KCNJ1 (0.53) CYP11B2KCNJ1GPR55MEN1KMT2A
SCHEMBL10234020 0.88 KCNJ1 (0.49) CYP11B2KCNJ1GPR55MEN1KMT2A
SCHEMBL805366 0.84 CYP11B2 (0.49) CYP11B2KCNJ1GPR55MEN1KMT2A
SCHEMBL783194 0.78 KCNJ1 (0.58) CYP11B2KCNJ1GPR55MEN1KMT2A
SCHEMBL783487 0.77 KCNJ1 (0.51) CYP11B2KCNJ1GPR55CYP11B1
SCHEMBL782500 0.75 KCNJ1 (0.50) CYP11B2KCNJ1GPR55
SCHEMBL782548 0.74 CYP11B2 (0.48) CYP11B2KCNJ1GPR55MEN1KMT2A
SCHEMBL21535172 0.74 CYP11B1 (0.55) CYP11B2CYP19A1CYP11B1
SCHEMBL31260061 0.74 CYP11B1 (0.55) CYP11B2CYP19A1CYP11B1
SCHEMBL1607295 0.73 CYP11B2 (0.55) CYP11B2MEN1KMT2ACYP19A1CYP11B1

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 3 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
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

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 1/4885KCNJ1 630/4885GPR55 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.