SCHEMBL7112387

SCHEMBL7112387

CC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 18/20 0.66
ABCC9 O60706 8/20 0.60
ABCC8 Q09428 8/20 0.60
KCNJ8 Q15842 8/20 0.60
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7117140 0.81 KCNJ11 (0.76) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL7112062 0.80 KCNJ11 (0.72) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL7116176 0.80 KCNJ11 (1.00) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL31490630 0.78 MAPT (0.51) ALDH1A1MAPTHPGD
SCHEMBL5565461 0.77 MAPT (0.48) ALDH1A1MAPTHPGD
SCHEMBL7112057 0.77 MAPT (0.63) KCNJ11ABCC9ABCC8KCNJ8PDK1
SCHEMBL7114326 0.77 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL7120313 0.77 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8PDK1
SCHEMBL29405861 0.75 KCNJ11 (1.00) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4260449 0.75 KCNJ11 (1.00) KCNJ11ABCC9ABCC8KCNJ8

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
WO-2003089404-A1 NAPHTHALENE AMIDES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-10-30 WO claimed
US-20030199578-A1 Naphthalene amides as potassium channel openers ABBOTT LABORATORIES 2003-10-23 US claimed
WO-2003089404-A1 NAPHTHALENE AMIDES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-10-30 WO disclosed
US-20030199578-A1 Naphthalene amides as potassium channel openers ABBOTT LABORATORIES 2003-10-23 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-20030199578-A1 Naphthalene amides as potassium channel openers KCNJ2, KCNN2, KCNJ1 KCNJ11 11/4885ABCC9 264/4885ABCC8 179/4885

“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.