SCHEMBL3117178

SCHEMBL3117178

COc1ccc2c(N3CCS(O)(O)CC3)nc(C#N)c(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.49
KCNH2 Q12809 5/20 0.49
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 3/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 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
SCHEMBL3117183 0.91 KCNA5 (0.49) KCNA5KCNH2KDM4EKMT2AMEN1
SCHEMBL3125625 0.90 KCNA5 (0.51) KCNA5KCNH2KDM4EKMT2AMEN1
SCHEMBL3113463 0.86 KCNA5 (0.48) KCNA5KCNH2KDM4EKMT2ATSHR
SCHEMBL3119776 0.85 KMT2A (0.55) KCNA5KCNH2KDM4EKMT2AMEN1
SCHEMBL3124668 0.85 KCNA5 (0.51) KCNA5KCNH2KDM4EKMT2AMEN1
SCHEMBL3124654 0.85 KCNA5 (0.49) KCNA5KCNH2KDM4ELMNAMAPK1
SCHEMBL3481915 0.83 KDM4E (0.45) KDM4EKMT2AMEN1LMNAMAPK1
SCHEMBL3123324 0.81 KCNA5 (0.49) KCNA5KCNH2KDM4EKMT2AMEN1
SCHEMBL3122216 0.81 KCNH2 (0.47) KCNA5KCNH2KDM4EKMT2AMEN1
SCHEMBL1385352 0.78 KCNA5 (0.53) KCNA5KCNH2KDM4EKMT2AMEN1

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-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 KCNA5 15/4885KCNH2 5/4885KDM4E 811/4885

“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.