SCHEMBL3889005

SCHEMBL3889005

c1ccc(C(c2ccccc2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.68
GOPC Q9HD26 2/20 0.68
SLC6A2 P23975 1/20 0.68
SLC6A4 P31645 1/20 0.68
SLC6A3 Q01959 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.63
KCNA5 P22460 6/20 0.53
KCNN4 O15554 2/20 0.53
KDM4E B2RXH2 1/20 0.53
KCNH2 Q12809 2/20 0.49
CYP19A1 P11511 1/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TBXAS1 P24557 1/20 0.45

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
SCHEMBL3887188 0.93 CFTR (0.62) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL17069272 0.87 CFTR (0.59) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10442149 0.87 CFTR (0.59) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL30326956 0.84 SMN1; SMN2 (0.61) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL27176402 0.84 SMN1; SMN2 (0.61) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1378412 0.83 KCNA5 (0.56) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL3888426 0.83 KCNA5 (0.56) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1381367 0.82 CFTR (0.53) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6476580 0.81 SLC6A2 (1.00) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1380208 0.80 KCNA5 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US 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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 CFTR 983/4885GOPC 2299/4885SLC6A2 2093/4885

“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.