SCHEMBL6907896

SCHEMBL6907896

O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCS1)N2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 10/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ABCC9 O60706 2/20 0.49
ABCC8 Q09428 2/20 0.49
KCNJ11 Q14654 2/20 0.49
KCNJ8 Q15842 2/20 0.49
CACNA1D Q01668 1/20 0.48
FFAR3 O14843 1/20 0.47
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6909986 0.88 GPR174 (0.56) GPR174ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL6909423 0.87 KDM4E (0.54) MEN1KMT2AALDH1A1ABCC9ABCC8
SCHEMBL6908858 0.86 GAA (0.59) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL6908843 0.86 ABCC9 (0.52) GPR174MEN1KMT2AABCC9ABCC8
SCHEMBL6904613 0.86 ABCC9 (0.62) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL6909977 0.86 KDM4E (0.57) GPR174MEN1KMT2AABCC9ABCC8
SCHEMBL6909249 0.85 FFAR3 (0.50) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL7817258 0.84 GPR174 (0.72) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL6435908 0.83 GPR174 (0.56) GPR174ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL6905395 0.83 ABCC9 (0.77) GPR174MEN1KMT2AALDH1A1ABCC9

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 11 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-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

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 GPR174 1881/4885MEN1 1157/4885KMT2A 1247/4885

“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.