SCHEMBL5317798

SCHEMBL5317798

O=C(CN1CCCN(Cc2ccc(C(=O)O)cc2)CC1)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.77
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
HRH3 Q9Y5N1 1/20 0.51
FAAH O00519 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
GFER P55789 1/20 0.49

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
SCHEMBL3043169 0.88 LTA4H (0.77) LTA4HHRH3FAAH
SCHEMBL5312794 0.87 LTA4H (1.00) LTA4HLMNAMEN1ALDH1A1GLA
SCHEMBL5317908 0.84 LTA4H (1.00) LTA4HFAAHLMNAMEN1ALDH1A1
SCHEMBL5663496 0.83 LTA4H (0.60) LTA4HHRH3FAAH
SCHEMBL5312878 0.82 LTA4H (0.59) LTA4HHRH3FAAHMEN1ALDH1A1
SCHEMBL3036958 0.82 LTA4H (0.69) LTA4HHRH3FAAH
SCHEMBL3035819 0.81 LTA4H (0.68) LTA4HHRH3FAAH
SCHEMBL5657184 0.81 LTA4H (0.57) LTA4HHRH3FAAH
SCHEMBL5310549 0.81 LTA4H (0.62) LTA4HHRH3FAAHLMNAALDH1A1
SCHEMBL5659713 0.80 LTA4H (0.86) LTA4HHRH3LMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885CA1 2812/4885CA2 1778/4885

“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.