SCHEMBL6988051

SCHEMBL6988051

CC(C)(C)C(NC(=O)COc1ccccc1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.54
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPKAPK2 P49137 1/20 0.42
PLK1 P53350 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL6990889 0.91 NOTUM (0.50) NOTUMGALR3RAB9ATDP1MAPKAPK2
SCHEMBL6988947 0.87 PLK1 (0.44) MAPKAPK2PLK1LMNAMAPK1
SCHEMBL6989669 0.83 CYP3A4 (0.45) NOTUMMAPKAPK2PLK1POLBLMNA
SCHEMBL6984656 0.82 ALDH1A1 (0.43) RAB9ALMNAHTTKDM4E
SCHEMBL6989283 0.82 ABCC9 (0.51) RAB9AMAPKAPK2PLK1LMNAMAPK1
SCHEMBL6991611 0.80 ALDH1A1 (0.41) NOTUMMAPKAPK2PLK1POLBNAMPT
SCHEMBL6984683 0.80 PLK1 (0.44) RAB9AMAPKAPK2PLK1MAPK1
SCHEMBL6989887 0.79 GFER (0.47) MAPKAPK2PLK1MAPK1HTT
SCHEMBL6983541 0.79 MAPKAPK2 (0.52) RAB9AMAPKAPK2PLK1LMNAHTT
SCHEMBL7555212 0.78 ABCC9 (0.51) RAB9AMAPKAPK2PLK1MAPK1NAMPT

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 NOTUM 3318/4885GALR3 3205/4885RAB9A 3503/4885

“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.