SCHEMBL4708086

SCHEMBL4708086

Fc1cc(CN2CCCCC2)ccc1Oc1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.52
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SSTR5 P35346 7/20 0.46
HRH1 P35367 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR2B P41595 1/20 0.42

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
SCHEMBL4693099 0.82 LTA4H (0.71) LTA4HKCNH2
SCHEMBL4688876 0.76 LTA4H (0.69) LTA4HKCNH2ALDH1A1HTTRAB9A
SCHEMBL2167824 0.73 LTA4H (0.75) LTA4HKCNH2
SCHEMBL2169369 0.73 LTA4H (0.75) LTA4HKCNH2
SCHEMBL2169586 0.71 LTA4H (0.74) LTA4HKCNH2
SCHEMBL2168408 0.71 LTA4H (0.78) LTA4HKCNH2
SCHEMBL8327595 0.70 ALDH1A1 (0.66) ALDH1A1HTT
Hydrochloric Acid SCHEMBL16825126 0.69 ALDH1A1 (0.64) ALDH1A1HTT
SCHEMBL8325210 0.69 ALDH1A1 (0.63) ALDH1A1HTT
SCHEMBL2168424 0.68 LTA4H (1.00) LTA4HKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660491-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP claimed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US claimed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 LTA4H 1/4885KCNH2 3429/4885ALDH1A1 1306/4885

“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.