SCHEMBL4458972

SCHEMBL4458972

Clc1cccc(N(c2cccnc2)C(c2ccccc2)c2cccnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.41
GOPC Q9HD26 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KCNA5 P22460 8/20 0.38
CYP19A1 P11511 1/20 0.37
KCNN4 O15554 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL4461625 0.96 CYP19A1 (0.40) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL4462104 0.95 CFTR (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL14435390 0.88 CYP19A1 (0.38) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL4458274 0.87 CYP19A1 (0.49) KCNA5CYP19A1KCNH2
SCHEMBL4459552 0.84 KCNA5 (0.42) KCNA5CYP19A1ALDH1A1KCNH2
SCHEMBL4470641 0.83 POLB (0.37) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL4470602 0.83 KCNA5 (0.35) KCNA5CYP19A1
SCHEMBL4468106 0.83 CYP19A1 (0.46) KCNA5CYP19A1ALDH1A1KCNH2
SCHEMBL4463302 0.82 TAAR1 (0.35) KCNA5
SCHEMBL4459337 0.81 CFTR (0.55) CFTRGOPCSLC6A2SLC6A4SLC6A3

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 5 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
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 CFTR 520/4885GOPC 2527/4885SLC6A2 254/4885

“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.