SCHEMBL4461775

SCHEMBL4461775

COc1ccc(N(c2cccc(Cl)n2)C(c2cccnc2)c2cccnc2O)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNA5 P22460 5/20 0.32
CYP19A1 P11511 1/20 0.31
KCND3 Q9UK17 1/20 0.31
OXTR P30559 2/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
PFKFB3 Q16875 1/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
GAA P10253 1/20 0.30
ADORA2A P29274 1/20 0.30
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL4459564 0.91 CYP19A1 (0.36) KCNA5CYP19A1OXTRKMT2APFKFB3
SCHEMBL4464269 0.90 CYP19A1 (0.34) KCNA5CYP19A1KCND3OXTRHCRTR1
SCHEMBL4470602 0.86 KCNA5 (0.35) KCNA5CYP19A1OXTRKMT2APFKFB3
SCHEMBL4468118 0.86 KCNA5 (0.36) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL4453034 0.83 KCNA5 (0.33) KDM4EALDH1A1MAPTLMNAL3MBTL1
SCHEMBL4462686 0.81 CYP19A1 (0.40) KCNA5CYP19A1OXTRKMT2APFKFB3
SCHEMBL4460413 0.81 OXTR (0.34) CYP19A1OXTR
SCHEMBL4469190 0.81 CYP19A1 (0.36) KCNA5CYP19A1OXTRKMT2APFKFB3
SCHEMBL14435718 0.78 PDE4D (0.37) ALDH1A1KCNA5CYP19A1OXTRKMT2A
SCHEMBL5065888 0.78 HSP90AA1 (0.36) KCNA5CYP19A1HSP90AA1HCRTR1HCRTR2

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 7 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 claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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 KDM4E 185/4885ALDH1A1 2688/4885MAPT 2245/4885

“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.