SCHEMBL6987229

SCHEMBL6987229

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)Nc1c(Nc2cnc(F)c(Br)c2)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 8/20 0.41
ABCC9 O60706 3/20 0.41
ABCC8 Q09428 3/20 0.41
KCNJ8 Q15842 3/20 0.41
S1PR3 Q99500 5/20 0.36
S1PR1 P21453 3/20 0.36
PLK1 P53350 1/20 0.36
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
B3GNT2 Q9NY97 1/20 0.35
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
S1PR2 O95136 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6989878 0.83 MAPT (0.50) KCNJ11ABCC9ABCC8KCNJ8PLK1
SCHEMBL6988322 0.82 KCNQ3 (0.50) KCNJ11ABCC9ABCC8KCNJ8S1PR3
SCHEMBL6989035 0.82 KCNJ11 (0.46) KCNJ11ABCC9ABCC8KCNJ8PLK1
SCHEMBL6983908 0.80 ABCC9 (0.44) KCNJ11ABCC9ABCC8KCNJ8S1PR3
SCHEMBL6991098 0.79 PLK1 (0.54) KCNJ11ABCC9ABCC8KCNJ8PLK1
SCHEMBL6990741 0.79 GABRA5 (0.35) EGFRERBB3MAPTNPC1RAB9A
SCHEMBL6989221 0.78 KCNJ11 (0.45) KCNJ11ABCC9ABCC8KCNJ8PLK1
SCHEMBL6981921 0.78 ABCC9 (0.64) KCNJ11ABCC9ABCC8KCNJ8MAPT
SCHEMBL6989329 0.75 LMNA (0.50) KCNJ11ABCC9ABCC8KCNJ8S1PR3
SCHEMBL6985814 0.75 KCNJ11 (0.52) KCNJ11S1PR3MAPTS1PR2S1PR4

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 12 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
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 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
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 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 (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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 KCNJ11 2/4885ABCC9 1043/4885ABCC8 705/4885
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.