SCHEMBL4470049

SCHEMBL4470049

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.46
CYP19A1 P11511 3/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
KCND3 Q9UK17 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP11B1 P15538 1/20 0.38
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4464162 0.93 KCNA5 (0.48) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL14435411 0.85 CFTR (0.50) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL4457675 0.85 KCNA5 (0.41) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL4460408 0.83 NFE2L2 (0.42) KCNA5OPRM1OPRD1TRPM8
SCHEMBL4456792 0.82 CYP3A4 (0.44) KCNA5TRPM8
SCHEMBL4461686 0.82 CYP2A6 (0.46) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL4458259 0.80 CFTR (0.55) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL4459337 0.80 CFTR (0.55) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL4463317 0.79 CFTR (0.53) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL4466935 0.79 KCNA5 (0.36) KCNA5CYP19A1OPRM1OPRD1TRPM8

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 KCNA5 11/4885CYP19A1 4359/4885SLC6A2 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.