SCHEMBL1242386

SCHEMBL1242386

NC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
KCNA5 P22460 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP19A1 P11511 4/20 0.38
CTSL P07711 1/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
CYP1A1 P04798 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
SCHEMBL6733043 0.83 CFTR (0.43) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1240925 0.77 CYP19A1 (0.51) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL5772657 0.76 IDO1 (0.52) ALDH1A1IDO1TDO2
Ammonia Solution, Strong SCHEMBL5999985 0.75 KCNA5 (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL16781718 0.72 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL3887188 0.72 CFTR (0.62) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL5998613 0.72 KCNA5 (0.44) CFTRSLC6A2SLC6A4SLC6A3GOPC
Bromide SCHEMBL11274115 0.72 KCNA5 (0.41) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1376910 0.72 LMNA (0.38) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1242397 0.72 KCNA5 (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC

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
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CFTR 256/4885SLC6A2 382/4885SLC6A4 579/4885

“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.