SCHEMBL6911320

SCHEMBL6911320

CC(=O)C1=C(C)NC2=C(C1c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)CCC2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 17/20 0.62
ABCC8 Q09428 17/20 0.62
KCNJ11 Q14654 17/20 0.62
KCNJ8 Q15842 17/20 0.62
KMT2A Q03164 1/20 0.44
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL6908699 0.93 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6912871 0.91 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6910817 0.87 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7250504 0.86 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6912853 0.77 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7267078 0.75 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7267067 0.75 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL11860028 0.74 KMT2A (0.65) KMT2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL7266650 0.73 HIF1A (0.60) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6435494 0.73 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP claimed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US claimed
US-6265417-B1 MUSCLE RELAXANTS ABBOTT LABORATORIES 2001-07-24 US claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US disclosed
US-6265417-B1 MUSCLE RELAXANTS ABBOTT LABORATORIES 2001-07-24 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 (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-20010036950-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ABCC9 300/4885ABCC8 376/4885KCNJ11 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.