SCHEMBL6985679

SCHEMBL6985679

O=C(NC(CC12CC3CC(CC(C3)C1)C2)Nc1c(Nc2cccnc2)c(=O)c1=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ABCC9 O60706 5/20 0.42
ABCC8 Q09428 5/20 0.42
KCNJ11 Q14654 5/20 0.42
KCNJ8 Q15842 5/20 0.42
NAMPT P43490 3/20 0.42
P2RX7 Q99572 3/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 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
SCHEMBL7543847 0.88 P2RX7 (0.45) KMT2AMEN1USP2CYP11B2P2RX7
SCHEMBL4678951 0.77 ABCC9 (0.51) KMT2AMEN1USP2CYP11B1CYP11B2
SCHEMBL4678956 0.77 ABCC9 (0.51) KMT2AMEN1USP2CYP11B1CYP11B2
SCHEMBL4683216 0.77 ABCC9 (0.51) KMT2AMEN1USP2CYP11B1CYP11B2
SCHEMBL4683215 0.77 ABCC9 (0.51) KMT2AMEN1USP2CYP11B1CYP11B2
SCHEMBL6988934 0.76 CYP11B1 (0.50) KMT2AMEN1CYP11B1CYP11B2ABCC9
SCHEMBL6985929 0.75 ABCC9 (0.58) KMT2AMEN1CYP11B1CYP11B2ABCC9
SCHEMBL6981921 0.75 ABCC9 (0.64) KMT2AMEN1CYP11B1CYP11B2ABCC9
SCHEMBL6986710 0.73 ABCC9 (0.52) KMT2AMEN1CYP11B1CYP11B2ABCC9
SCHEMBL6988816 0.73 ABCC9 (0.54) KMT2AMEN1CYP11B1CYP11B2ABCC9

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 KMT2A 1875/4885MEN1 773/4885USP2 4753/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 KMT2A 1875/4885MEN1 773/4885USP2 4753/4885

“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.