SCHEMBL2882170

SCHEMBL2882170

COc1ccc(CCN2C(=O)N(N(CCn3ccnc3)C(C)=O)CC2c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNA5 P22460 15/20 0.43
KCNH2 Q12809 14/20 0.43
KCNA3 P22001 1/20 0.42
CACNA1D Q01668 1/20 0.42
KCNA1 Q09470 1/20 0.42
KCND3 Q9UK17 1/20 0.42
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL2887759 0.94 KCNA5 (0.44) CYP3A4CYP2C9MEN1KMT2ACYP1A2
SCHEMBL2885045 0.92 KCNA5 (0.42) CYP3A4CYP2C9MEN1KMT2ACYP1A2
SCHEMBL4284475 0.92 KCNA5 (0.42) CYP3A4CYP2C9MEN1KMT2ACYP1A2
SCHEMBL4502188 0.82 CYP3A4 (0.42) CYP3A4CYP2C9MEN1KMT2ACYP1A2
SCHEMBL2884875 0.81 KCNA5 (0.53) CYP3A4CYP2C9MEN1KMT2ACYP1A2
SCHEMBL4284478 0.80 KCNA5 (0.41) CYP3A4CYP2C9KCNA5KCNH2KCNA3
SCHEMBL2885945 0.74 KCNA5 (0.57) CYP3A4CYP2C9KCNA5KCNH2KCNA3
SCHEMBL2884885 0.74 KCNA5 (0.59) CYP3A4CYP2C9KCNA5KCNH2KCNA3
SCHEMBL2882049 0.73 KCNA5 (0.59) CYP3A4CYP2C9KCNA5KCNH2KCNA3
SCHEMBL2879884 0.72 KCNA5 (0.62) CYP3A4CYP2C9KCNA5KCNH2KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US claimed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US claimed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US claimed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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 (2 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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 CYP3A4 1139/4885CYP2C9 1340/4885MEN1 1662/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 CYP3A4 1139/4885CYP2C9 1340/4885MEN1 1662/4885

“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.