SCHEMBL6989035

SCHEMBL6989035

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)Nc1c(Nc2cncc(C(F)(F)F)c2)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 6/20 0.46
ABCC9 O60706 4/20 0.46
ABCC8 Q09428 4/20 0.46
KCNJ8 Q15842 4/20 0.46
USP36 Q9P275 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
DDR1 Q08345 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
HDAC1 Q13547 3/20 0.36
RHOC P08134 2/20 0.36
RHOA P61586 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CHEK1 O14757 2/20 0.35
PLK1 P53350 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL7559454 0.91 TAS2R14 (0.37) KCNJ11ABCC9ABCC8KCNJ8USP36
SCHEMBL6982554 0.87 TAS2R14 (0.39) KCNJ11ABCC9ABCC8KCNJ8USP36
SCHEMBL6981921 0.82 ABCC9 (0.64) KCNJ11ABCC9ABCC8KCNJ8LMNA
SCHEMBL6987229 0.82 KCNJ11 (0.41) KCNJ11ABCC9ABCC8KCNJ8PLK1
SCHEMBL6991098 0.82 PLK1 (0.54) KCNJ11ABCC9ABCC8KCNJ8CHEK1
SCHEMBL6989878 0.80 MAPT (0.50) KCNJ11ABCC9ABCC8KCNJ8SMN1; SMN2
SCHEMBL6988322 0.79 KCNQ3 (0.50) KCNJ11ABCC9ABCC8KCNJ8PLK1
SCHEMBL6989037 0.79 DDR1 (0.43) USP36TAS2R14DDR1HDAC1RHOC
SCHEMBL6983908 0.79 ABCC9 (0.44) KCNJ11ABCC9ABCC8KCNJ8SMN1; SMN2
SCHEMBL7559161 0.77 TAS2R14 (0.43) USP36TAS2R14DDR1HDAC1RHOC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US claimed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 KCNJ11 2/4885ABCC9 1043/4885ABCC8 705/4885

“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.