SCHEMBL2887476

SCHEMBL2887476

COc1ccc(CCN2C(=O)N(N)CC2c2ccc(OC(F)F)cc2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 18/20 0.56
KCNH2 Q12809 16/20 0.56
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
KCNA3 P22001 1/20 0.50
CACNA1D Q01668 1/20 0.50
KCNA1 Q09470 1/20 0.50
KCND3 Q9UK17 1/20 0.50

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
SCHEMBL2885939 0.93 KCNA5 (0.63) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2886800 0.89 KCNA5 (0.59) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2885248 0.89 KCNA5 (0.59) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882055 0.89 KCNA5 (0.60) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882530 0.85 KCNA5 (0.70) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882893 0.81 KCNA5 (0.67) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882137 0.81 KCNA5 (0.67) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2885225 0.80 KCNA5 (0.71) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2885935 0.78 KCNA5 (0.55) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2887478 0.77 KCNA5 (0.47) KCNA5KCNH2CYP3A4CYP2C9KCNA3

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-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 KCNA5 5/4885KCNH2 3/4885CYP3A4 1139/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KCNA5 5/4885KCNH2 3/4885CYP3A4 1139/4885

“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.