SCHEMBL2640082

SCHEMBL2640082

COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)c(=O)n2CC(O)CO

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.74
KCNH2 Q12809 9/20 0.74
GRIA2 P42262 2/20 0.41
GRIA4 P48058 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GYS1 P13807 2/20 0.39
MAPT P10636 1/20 0.38
MYLK Q15746 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL3625695 0.89 KCNA5 (0.62) KCNA5KCNH2GRIA2GRIA4ALDH1A1
SCHEMBL3623830 0.85 KCNA5 (1.00) KCNA5KCNH2GRIA2GRIA4ALDH1A1
SCHEMBL3620578 0.82 KCNA5 (0.55) KCNA5KCNH2ALDH1A1KDM4ELMNA
SCHEMBL3481278 0.80 KCNA5 (0.54) KCNA5KCNH2ALDH1A1KDM4ELMNA
SCHEMBL2641192 0.79 KCNA5 (0.54) KCNA5KCNH2GRIA2GRIA4ALDH1A1
SCHEMBL3622694 0.78 KCNA5 (0.51) KCNA5KCNH2KDM4E
SCHEMBL3622231 0.77 GABRA1 (0.52) KCNA5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL2641302 0.76 KCNA5 (0.52) KCNA5KCNH2ALDH1A1KDM4ELMNA
SCHEMBL1385042 0.76 KCNA5 (0.82) KCNA5KCNH2ALDH1A1KDM4ELMNA
SCHEMBL2168453 0.75 KCNA5 (0.58) KCNA5KCNH2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667973-B1 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP claimed
JP-4794445-B2 2011-10-19 JP claimed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US claimed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US claimed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
EP-1667973-B1 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 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-20070078154-A1 Quinoline potassium channel inhibitors KCNQ2, KCNQ1, KCNJ2 KCNA5 15/4885KCNH2 4/4885GRIA2 1188/4885

“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.