SCHEMBL6987149

SCHEMBL6987149

COc1ncccc1Nc1c(NC(NC(=O)c2cccc(Cl)c2)C(C)(C)C)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX7 Q99572 2/20 0.41
KCNJ11 Q14654 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX12 P18054 2/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
NPY1R P25929 1/20 0.38
S1PR2 O95136 2/20 0.37
S1PR4 O95977 2/20 0.37
S1PR3 Q99500 2/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL6990462 0.90 KMT2A (0.42) MEN1KMT2AL3MBTL1P2RX7KCNJ11
SCHEMBL6989346 0.90 KCNJ11 (0.50) MEN1KMT2AL3MBTL1P2RX7KCNJ11
SCHEMBL6987485 0.89 HPGD (0.38) MEN1KMT2AL3MBTL1P2RX7KCNJ11
SCHEMBL6983246 0.89 KMT2A (0.44) MEN1KMT2AL3MBTL1P2RX7KCNJ11
SCHEMBL6989909 0.86 KMT2A (0.41) MEN1KMT2AL3MBTL1KCNJ11HPGD
SCHEMBL6991618 0.85 P2RX7 (0.40) P2RX7KCNJ11GAALRRK2SCN5A
SCHEMBL4256399 0.81 POLB (0.42) MEN1KMT2AL3MBTL1P2RX7KCNJ11
SCHEMBL4256402 0.81 POLB (0.42) MEN1KMT2AL3MBTL1P2RX7KCNJ11
SCHEMBL7559791 0.81 POLB (0.42) MEN1KMT2AL3MBTL1P2RX7KCNJ11
SCHEMBL6985145 0.81 KMT2A (0.56) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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 9 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
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

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 MEN1 773/4885KMT2A 1875/4885L3MBTL1 1654/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MEN1 773/4885KMT2A 1875/4885L3MBTL1 1654/4885

“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.