SCHEMBL2641389

SCHEMBL2641389

COc1ccc(Cn2c(=O)c(N)c(-c3cccc(F)c3)c3cc(OC)ccc32)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.47
KCNA5 P22460 3/20 0.46
KCNH2 Q12809 3/20 0.46
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPT P10636 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
PLA2G2A P14555 2/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL3481278 0.86 KCNA5 (0.54) EDNRBKCNA5KCNH2LMNAKDM4E
SCHEMBL13035842 0.85 EDNRB (0.48) EDNRBALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL3619565 0.83 EDNRB (0.46) EDNRBKCNA5KCNH2LMNAKDM4E
SCHEMBL3622871 0.76 EDNRB (0.45) EDNRBKCNA5KCNH2LMNAKDM4E
SCHEMBL13035840 0.71 PDE9A (0.55) EDNRBKCNA5KCNH2LMNAKDM4E
SCHEMBL3874260 0.70 CSF1R (0.40) EDNRBLMNAKDM4EGRIN1GRIN2B
SCHEMBL2641429 0.70 ALDH1A1 (0.62) KCNA5KCNH2LMNAKDM4EALDH1A1
SCHEMBL3622694 0.69 KCNA5 (0.51) KCNA5KCNH2KDM4EGRIN1GRIN2B
SCHEMBL3622231 0.68 GABRA1 (0.52) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3620578 0.68 KCNA5 (0.55) KCNA5KCNH2LMNAKDM4EALDH1A1

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
JP-4794445-B2 2011-10-19 JP 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
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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-20070078154-A1 Quinoline potassium channel inhibitors KCNQ2, KCNQ1, KCNJ2 EDNRB 2470/4885KCNA5 15/4885KCNH2 4/4885

“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.