SCHEMBL4462469

SCHEMBL4462469

COc1ccc(N(c2cccc(S(C)(=O)=O)c2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
HTR6 P50406 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 2/20 0.37
KCNH2 Q12809 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
LRRK2 Q5S007 1/20 0.36
GAA P10253 1/20 0.35
VNN1 O95497 1/20 0.35
NAMPT P43490 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP19A1 P11511 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL4460584 0.88 TAAR1 (0.44) TAAR1KDM4CLRRK2GAAVNN1
SCHEMBL4472842 0.87 TAAR1 (0.40) TAAR1KDM4CLRRK2VNN1PTGS2
SCHEMBL4457212 0.85 KCNA5 (0.42) OXTRHTR6HCRTR1HCRTR2CYP19A1
SCHEMBL4461835 0.85 CYP19A1 (0.40) OXTRHTR6HCRTR1HCRTR2CYP19A1
SCHEMBL4461909 0.85 TAAR1 (0.39) TAAR1KDM4CLRRK2VNN1PTGS2
SCHEMBL4472149 0.84 TAAR1 (0.41) TAAR1LRRK2GAANAMPTPTGS2
SCHEMBL4457222 0.84 TAAR1 (0.43) TAAR1LRRK2GAANAMPTPTGS2
SCHEMBL4462676 0.83 PTGS2 (0.41) TAAR1KCNH2LRRK2PTGS2
SCHEMBL4458283 0.82 KCNA5 (0.44) TAAR1KCNH2KDM4CLRRK2PTGS2
SCHEMBL4457675 0.82 KCNA5 (0.41) OXTRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 OXTR 2684/4885HTR6 1435/4885CYP11B1 1977/4885

“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.