SCHEMBL4464162

SCHEMBL4464162

Clc1cccc(N(c2ccccc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.48
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 2/20 0.45
CFTR P13569 1/20 0.45
GOPC Q9HD26 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
CYP19A1 P11511 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
RORC P51449 1/20 0.38
KCNN4 O15554 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4470049 0.93 KCNA5 (0.46) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL4464202 0.86 CFTR (0.59) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL4456792 0.84 CYP3A4 (0.44) KCNA5TRPM8RORC
SCHEMBL4458259 0.82 CFTR (0.55) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL4460408 0.82 NFE2L2 (0.42) KCNA5TRPM8OPRM1OPRD1RORC
SCHEMBL4457675 0.81 KCNA5 (0.41) KCNA5SLC6A2SLC6A4SLC6A3TRPM8
SCHEMBL4463317 0.81 CFTR (0.53) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL4459337 0.79 CFTR (0.55) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL4454560 0.79 SLC6A2 (0.41) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL4461894 0.79 KCNA5 (0.51) KCNA5SLC6A2SLC6A4SLC6A3CFTR

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 KCNA5 11/4885SLC6A2 254/4885SLC6A4 438/4885

“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.