SCHEMBL6990861

SCHEMBL6990861

O=C(NCNc1c(Nc2cccnc2)c(=O)c1=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
NAMPT P43490 5/20 0.56
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.45
CHEK1 O14757 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
FLT4 P35916 1/20 0.44

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
SCHEMBL6985933 0.86 CYP11B1 (0.51) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6981925 0.85 NAMPT (0.50) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6988934 0.77 CYP11B1 (0.50) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL7163637 0.77 NAMPT (0.46) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6990458 0.76 CSF1R (0.44) CYP11B1CYP11B2NAMPTKMT2AMEN1
SCHEMBL6988180 0.75 NAMPT (0.51) NAMPTKMT2ASMN1; SMN2LMNAMAPT
SCHEMBL6985929 0.75 ABCC9 (0.58) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6981921 0.75 ABCC9 (0.64) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL4024804 0.75 FLT4 (0.47) CYP11B1CYP11B2NAMPTKMT2AMEN1
SCHEMBL6986333 0.74 MEN1 (0.48) KMT2ASMN1; SMN2MEN1MAPTRAB9A

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 CYP11B1 364/4885CYP11B2 615/4885NAMPT 1144/4885

“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.