SCHEMBL6987437

SCHEMBL6987437

CC(C)(C)C(NC(=O)c1cccc(Cl)c1)Nc1c(Nc2ccc(Cl)nc2)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.54
KCNQ2 O43526 6/20 0.54
KCNE1 P15382 4/20 0.54
KCNQ1 P51787 4/20 0.54
KCNJ11 Q14654 6/20 0.49
IDO1 P14902 2/20 0.45
KCNQ5 Q9NR82 1/20 0.42
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
S1PR2 O95136 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6985814 0.89 KCNJ11 (0.52) KCNQ3KCNQ2KCNE1KCNQ1KCNJ11
SCHEMBL6988322 0.88 KCNQ3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1KCNJ11
SCHEMBL6984652 0.86 ABCC9 (0.51) KCNJ11S1PR3MEN1ALDH1A1LMNA
SCHEMBL4367789 0.86 GRM5 (0.45) KCNQ3KCNQ2KCNE1KCNQ1KCNJ11
SCHEMBL6987283 0.82 KMT2A (0.44) KCNJ11S1PR3S1PR4S1PR2MEN1
SCHEMBL6983246 0.81 KMT2A (0.44) KCNJ11S1PR3S1PR4S1PR2MEN1
SCHEMBL6988592 0.81 KCNJ11 (0.54) KCNJ11MEN1ALDH1A1LMNACYP1A2
SCHEMBL6989909 0.79 KMT2A (0.41) KCNJ11S1PR3S1PR4S1PR2MEN1
SCHEMBL6990454 0.78 ABCC9 (0.52) KCNJ11MEN1ALDH1A1LMNACYP1A2
SCHEMBL6987149 0.78 MEN1 (0.41) KCNJ11S1PR3S1PR4S1PR2MEN1

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 KCNQ3 44/4885KCNQ2 36/4885KCNE1 28/4885

“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.