SCHEMBL13115477

SCHEMBL13115477

C[S+]([O-])Cc1nc(-c2ccc(C#N)cc2)[nH]c1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.48
NPY5R Q15761 2/20 0.47
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
RAF1 P04049 1/20 0.46
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.43
CYP17A1 P05093 1/20 0.43
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
IDO1 P14902 1/20 0.39
FLT3 P36888 2/20 0.39
DYRK1A Q13627 1/20 0.38
GUSB P08236 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LDHA P00338 1/20 0.36
EPHX2 P34913 1/20 0.36
PKN1 Q16512 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
SCHEMBL13115469 0.88 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115479 0.85 CYP11B1 (0.45) CYP11B2NPY5RMAPK14MAPK13MAPK12
SCHEMBL13115328 0.85 CYP11B2 (0.54) CYP11B2NPY5RMAPK14MAPK13MAPK12
SCHEMBL13115449 0.83 CYP11B2 (0.51) CYP11B2NPY5RMAPK14MAPK13MAPK12
SCHEMBL13115441 0.83 CYP11B2 (0.54) CYP11B2NPY5RMAPK14MAPK13MAPK12
SCHEMBL13115465 0.82 CYP11B2 (0.50) CYP11B2NPY5RMAPK14MAPK13MAPK12
SCHEMBL13115335 0.74 CYP19A1 (0.49) CYP11B2NPY5RMAPK14CYP19A1CYP11B1
SCHEMBL13115274 0.71 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13263305 0.70 NPY5R (0.48) CYP11B2NPY5RMAPK14MAPK13MAPK12
SCHEMBL13115448 0.69 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 CYP11B2 4104/4885NPY5R 695/4885MAPK14 1232/4885

“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.