SCHEMBL4453045

SCHEMBL4453045

NC(=O)Nc1cccc(N(c2ccccc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.39
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
CFTR P13569 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4461864 0.91 SMN1; SMN2 (0.38) CYP2C9NAMPTSMN1; SMN2EPHX2TSHR
SCHEMBL4469178 0.90 POLB (0.41) NR3C2EPHX2KDM4E
SCHEMBL4468137 0.86 GAA (0.36) CYP2C9NAMPTSMN1; SMN2EPHX2TSHR
SCHEMBL4462113 0.84 ALDH1A1 (0.40) NR3C2NAMPTALDH1A1
SCHEMBL4456765 0.82 POLB (0.42) EPHX2KDM4E
SCHEMBL14435381 0.81 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL4466427 0.80 KCNA5 (0.51) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4462104 0.78 CFTR (0.42) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL14435433 0.78 CFTR (0.42) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL13971398 0.78 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4

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 6 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

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 NR3C2 2215/4885CYP2C9 1842/4885NAMPT 2263/4885

“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.