SCHEMBL4458827

SCHEMBL4458827

CCOc1ccc(N(c2cccnc2)C(c2ccc(Cl)cc2)c2cccnc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
KCNA5 P22460 4/20 0.38
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 5/20 0.34
CYP3A5 P20815 3/20 0.34
ALDH1A1 P00352 1/20 0.34
FFAR2 O15552 1/20 0.34
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALPL P05186 1/20 0.33
KCND3 Q9UK17 1/20 0.33
RORC P51449 2/20 0.33

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
SCHEMBL4461703 0.92 KCNA5 (0.43) CYP19A1KCNA5LMNASMN1; SMN2MAPT
SCHEMBL4459578 0.90 KCNA5 (0.43) CYP19A1KCNA5LMNASMN1; SMN2MAPT
SCHEMBL4454542 0.89 CYP19A1 (0.45) CYP19A1KCNA5LMNASMN1; SMN2MAPT
SCHEMBL4460589 0.86 CYP19A1 (0.46) CYP19A1KCNA5MAPTCYP3A4
SCHEMBL13971458 0.83 ELOVL1 (0.42) KCNA5LMNASMN1; SMN2MAPTCYP3A4
SCHEMBL4453034 0.81 KCNA5 (0.33) CYP19A1KCNA5LMNASMN1; SMN2MAPT
SCHEMBL4461911 0.80 CYP19A1 (0.46) CYP19A1KCNA5LMNAMAPTCYP3A4
SCHEMBL4457212 0.80 KCNA5 (0.42) CYP19A1KCNA5ALDH1A1
SCHEMBL4457675 0.77 KCNA5 (0.41) CYP19A1KCNA5KCND3
SCHEMBL4469601 0.77 KCNA5 (0.42) CYP19A1KCNA5SMN1; SMN2ALDH1A1

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 8 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
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 CYP19A1 4359/4885KCNA5 11/4885LMNA 904/4885

“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.