SCHEMBL6908037

SCHEMBL6908037

O=C1CCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCS1)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
ABCC9 O60706 4/20 0.41
ABCC8 Q09428 4/20 0.41
KCNJ11 Q14654 4/20 0.41
KCNJ8 Q15842 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR174 Q9BXC1 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1C Q13936 2/20 0.38
CACNA1F O60840 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL6908767 0.94 MEN1 (0.44) KMT2AMEN1ALDH1A1HTTABCC9
SCHEMBL6436430 0.94 MEN1 (0.48) KMT2AMEN1ALDH1A1HTTABCC9
SCHEMBL6904653 0.89 MEN1 (0.48) KMT2AMEN1ALDH1A1HTTABCC9
SCHEMBL7243013 0.89 LMNA (0.44) KMT2AMEN1ALDH1A1HTTTDP1
SCHEMBL6928301 0.87 ABCC9 (0.50) KMT2AMEN1ALDH1A1ABCC9ABCC8
SCHEMBL7628658 0.85 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1HTTABCC9
SCHEMBL6903998 0.82 ABCC9 (0.53) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7242101 0.82 LMNA (0.45) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6431947 0.81 ABCC9 (0.47) KMT2AMEN1ALDH1A1ABCC9ABCC8
SCHEMBL7814727 0.80 ABCC9 (0.60) KMT2AMEN1ABCC9ABCC8KCNJ11

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 15 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
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
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO 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
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP 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
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed
EP-1040097-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2000-10-04 EP disclosed
WO-1999031059-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 1999-06-24 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-20010036950-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 KMT2A 1247/4885MEN1 1157/4885ALDH1A1 709/4885

“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.