SCHEMBL1370075

SCHEMBL1370075

OS1(O)CCN(c2ccccc2CN(c2cccnc2)c2cccnc2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
KCNN4 O15554 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.30
HTR2C P28335 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
SCHEMBL1366621 0.89 KCNA5 (0.31) KCNA5NOS3NOS1NOS2GAA
SCHEMBL1367587 0.87 TAAR1 (0.36) KCNA5NOS3NOS1NOS2GAA
SCHEMBL1370076 0.86 KCNA5 (0.36) KCNA5NOS3NOS1NOS2GAA
SCHEMBL1368284 0.86
SCHEMBL1367453 0.81 CYP3A4 (0.36) CYP3A4
SCHEMBL1369683 0.81
SCHEMBL1367884 0.81 HCRTR1 (0.33)
SCHEMBL1369679 0.81
SCHEMBL1368340 0.80 CYP11B1 (0.34) KCNA5NOS3NOS1NOS2KCNN4
SCHEMBL1368262 0.79 TAAR1 (0.34) NOS3NOS1NOS2TSHRCYP3A4

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
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US claimed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
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 KCNA5 20/4885NOS3 2048/4885NOS1 2554/4885

“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.