SCHEMBL6986808

SCHEMBL6986808

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)Nc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
KCNJ11 Q14654 6/20 0.47
P2RX7 Q99572 2/20 0.47
ABCC9 O60706 4/20 0.46
ABCC8 Q09428 4/20 0.46
KCNJ8 Q15842 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.40
GAA P10253 1/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
POLB P06746 2/20 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
SCHEMBL4256402 0.91 POLB (0.42) RAB9ANPC1KCNJ11P2RX7ABCC9
SCHEMBL7559791 0.91 POLB (0.42) RAB9ANPC1KCNJ11P2RX7ABCC9
SCHEMBL4256399 0.91 POLB (0.42) RAB9ANPC1KCNJ11P2RX7ABCC9
SCHEMBL6989221 0.90 KCNJ11 (0.45) RAB9ANPC1KCNJ11P2RX7ABCC9
SCHEMBL6983246 0.89 KMT2A (0.44) RAB9ANPC1KCNJ11P2RX7MEN1
SCHEMBL6989346 0.88 KCNJ11 (0.50) RAB9ANPC1KCNJ11P2RX7ABCC9
SCHEMBL6988220 0.88 NPC1 (0.45) RAB9ANPC1KCNJ11P2RX7ABCC9
SCHEMBL6983497 0.87 POLB (0.41) RAB9ANPC1KCNJ11P2RX7ABCC9
SCHEMBL6985145 0.86 KMT2A (0.56) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL6986478 0.85 KMT2A (0.43) RAB9ANPC1KCNJ11ABCC9KMT2A

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 10 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

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 RAB9A 3503/4885NPC1 735/4885KCNJ11 2/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 RAB9A 3503/4885NPC1 735/4885KCNJ11 2/4885

“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.