SCHEMBL7543847

SCHEMBL7543847

O=C(NC(CC12CC3CC(CC(C3)C1)C2)Nc1c(Nc2cccnc2)c(=O)c1=O)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.45
CYP11B2 P19099 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.38
CNR2 P34972 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SGMS2 Q8NHU3 3/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL6985679 0.88 KMT2A (0.45) P2RX7CYP11B2MEN1USP2KMT2A
SCHEMBL4678951 0.66 ABCC9 (0.51) P2RX7CYP11B2MEN1USP2KMT2A
SCHEMBL4678956 0.66 ABCC9 (0.51) P2RX7CYP11B2MEN1USP2KMT2A
SCHEMBL6984659 0.66 ABCC9 (0.47) MEN1KMT2A
SCHEMBL4683215 0.65 ABCC9 (0.51) P2RX7CYP11B2MEN1USP2KMT2A
SCHEMBL4683216 0.65 ABCC9 (0.51) P2RX7CYP11B2MEN1USP2KMT2A
SCHEMBL7571529 0.64 P2RX7 (1.00) P2RX7
SCHEMBL6987212 0.64 NPC1 (0.41) KMT2AALDH1A1TSHR
SCHEMBL6988934 0.63 CYP11B1 (0.50) CYP11B2MEN1KMT2AHTT
SCHEMBL19198145 0.63 MEN1 (0.62) P2RX7MEN1USP2KMT2AEPHX2

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 P2RX7 782/4885CYP11B2 615/4885MEN1 773/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 P2RX7 782/4885CYP11B2 615/4885MEN1 773/4885

“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.