SCHEMBL7545207

SCHEMBL7545207

CC(C)(Cc1ccc(C(=O)O)cc1)C(NC(=O)c1cccc(Cl)c1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.43
ABCC8 Q09428 5/20 0.43
KCNJ11 Q14654 5/20 0.43
KCNJ8 Q15842 5/20 0.43
MAPKAPK2 P49137 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
BRAF P15056 1/20 0.40
CSF1R P07333 1/20 0.40
TBXA2R P21731 1/20 0.38
TBXAS1 P24557 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL6983717 0.94 MAPKAPK2 (0.46) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6988565 0.93 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6989499 0.88 MAPKAPK2 (0.45) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6991614 0.87 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6988592 0.86 KCNJ11 (0.54) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6984652 0.86 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6987656 0.86 MAPKAPK2 (0.49) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6985065 0.85 CYP3A4 (0.49) ABCC9KCNJ11MAPKAPK2MEN1KMT2A
SCHEMBL7554249 0.85 MAPKAPK2 (0.52) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL7161076 0.84 CYP1A2 (0.49) ABCC9KCNJ11MAPKAPK2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ABCC9 1043/4885ABCC8 705/4885KCNJ11 2/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 ABCC9 1043/4885ABCC8 705/4885KCNJ11 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.