SCHEMBL1368342

SCHEMBL1368342

N#Cc1cccc(N(Cc2cccnc2N2CCS(=O)(=O)c3ccccc32)c2cccnc2)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
KCNA5 P22460 2/20 0.33
KCNN4 O15554 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP3A4 P08684 3/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
ATR Q13535 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDK1 Q15118 1/20 0.31
CYP19A1 P11511 1/20 0.30
NEK1 Q96PY6 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL1367454 0.92 CYP3A4 (0.38) KCNA5CYP3A4CYP11B1CYP11B2
SCHEMBL1368340 0.90 CYP11B1 (0.34) GRM5KCNA5KCNN4NOS3NOS1
SCHEMBL1366620 0.89 KCNA5 (0.33) KCNA5KCNN4NOS3NOS1NOS2
SCHEMBL1368281 0.86 KCNA5 (0.31) KCNA5KCNN4NOS3NOS1NOS2
SCHEMBL14450913 0.84 KCNN4 (0.32) KCNA5KCNN4NOS3NOS1NOS2
SCHEMBL1368259 0.84 TAAR1 (0.34) KCNA5NOS3NOS1NOS2CYP3A4
SCHEMBL1367811 0.84 GRM5 (0.32) GRM5KCNA5KCNN4NOS3NOS1
SCHEMBL1367886 0.82 HCRTR1 (0.33)
SCHEMBL1367453 0.81 CYP3A4 (0.36) CYP3A4CYP11B1CYP11B2
SCHEMBL1369680 0.81

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 GRM5 1811/4885KCNA5 20/4885KCNN4 48/4885

“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.