SCHEMBL2168047

SCHEMBL2168047

c1ccc(CC2CCN(CCCOc3ccc(Oc4nc5ccccc5o4)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.71
TMEM97 Q5BJF2 2/20 0.64
SIGMAR1 Q99720 2/20 0.64
KCNH2 Q12809 1/20 0.63
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
HRH3 Q9Y5N1 1/20 0.57
ACHE P22303 3/20 0.55
BCHE P06276 1/20 0.55
TLR9 Q9NR96 1/20 0.53
MAOB P27338 1/20 0.52

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
SCHEMBL2168147 0.95 LTA4H (0.78) LTA4HTMEM97SIGMAR1KCNH2SLC6A2
SCHEMBL2167724 0.86 LTA4H (0.74) LTA4HKCNH2HRH3TLR9
SCHEMBL2170260 0.83 LTA4H (1.00) LTA4HTMEM97SIGMAR1KCNH2HRH3
SCHEMBL14100524 0.81 LTA4H (0.78) LTA4HKCNH2TLR9
SCHEMBL2168554 0.81 LTA4H (0.77) LTA4HKCNH2HRH3TLR9
SCHEMBL2168637 0.81 LTA4H (0.69) LTA4HKCNH2TLR9
SCHEMBL2168682 0.81 LTA4H (1.00) LTA4HKCNH2TLR9
SCHEMBL2167826 0.81 LTA4H (0.80) LTA4HSIGMAR1KCNH2HRH3TLR9
SCHEMBL5888823 0.79 SIGMAR1 (1.00) TMEM97SIGMAR1KCNH2SLC6A2SLC6A4
SCHEMBL2169516 0.79 LTA4H (1.00) LTA4HKCNH2TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726238-B2 2011-07-20 JP claimed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO claimed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP claimed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 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-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 LTA4H 1/4885TMEM97 3252/4885SIGMAR1 3103/4885

“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.