SCHEMBL1906264

SCHEMBL1906264

O=C(c1ccsc1)N1CC2=CN(Cc3ccc(Oc4nc5ccccc5s4)cc3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 18/20 0.48
KCNH2 Q12809 11/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 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
SCHEMBL1904509 0.87 LTA4H (0.49) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL3628097 0.87 LTA4H (0.56) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1908363 0.87 LTA4H (0.47) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1906776 0.86 LTA4H (0.48) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1901995 0.86 LTA4H (0.56) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1906912 0.86 LTA4H (0.57) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1906998 0.85 LTA4H (0.55) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1907866 0.85 LTA4H (0.49) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1904313 0.84 LTA4H (0.47) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL1905478 0.84 LTA4H (0.56) LTA4HKCNH2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935725-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2011-05-03 US claimed
EP-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO claimed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
US-8367719-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
US-8344008-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A ydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 US disclosed
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase Janseen Pharmaceutical NV 2011-10-27 US disclosed
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 US disclosed
US-7935725-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2011-05-03 US disclosed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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 (3 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-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 2410/4885CYP1A2 2013/4885
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 2410/4885CYP1A2 2013/4885
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 2410/4885CYP1A2 2013/4885

“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.