SCHEMBL6904653

SCHEMBL6904653

O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCS1)N2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ABCC9 O60706 6/20 0.48
ABCC8 Q09428 6/20 0.48
KCNJ11 Q14654 6/20 0.48
KCNJ8 Q15842 6/20 0.48
GPR174 Q9BXC1 4/20 0.47
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6908767 0.96 MEN1 (0.44) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL6436430 0.96 MEN1 (0.48) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL6908037 0.89 KMT2A (0.43) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL7242101 0.89 LMNA (0.45) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7814727 0.88 ABCC9 (0.60) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL7620062 0.86 MAPT (0.41) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL6908843 0.83 ABCC9 (0.52) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL6909977 0.83 KDM4E (0.57) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL6904613 0.83 ABCC9 (0.62) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL7835693 0.83 ABCC9 (0.52) MEN1KMT2AABCC9ABCC8KCNJ11

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
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 claimed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US claimed
EP-1040097-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2000-10-04 EP claimed
WO-1999031059-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 1999-06-24 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 MEN1 1157/4885KMT2A 1247/4885ABCC9 300/4885

“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.