SCHEMBL5312878

SCHEMBL5312878

CC(C(=O)NCc1ccc(Oc2ccccc2)cc1)N1CCCN(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HRH3 Q9Y5N1 2/20 0.52
ALDH1A1 P00352 2/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
FAAH O00519 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
DRD2 P14416 1/20 0.44
MCHR2 Q969V1 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL5313875 0.91 MEN1 (0.54) LTA4HMEN1KMT2AHRH3ALDH1A1
SCHEMBL5657184 0.89 LTA4H (0.57) LTA4HHRH3SCN5ASCN9AFAAH
SCHEMBL5310186 0.89 LTA4H (0.69) LTA4HMEN1KMT2AALDH1A1FAAH
SCHEMBL3043169 0.82 LTA4H (0.77) LTA4HHRH3FAAH
SCHEMBL5317798 0.82 LTA4H (0.77) LTA4HMEN1KMT2AHRH3ALDH1A1
SCHEMBL5312528 0.81 CYP2D6 (0.47) LTA4HHRH3ALDH1A1SCN5ASCN9A
SCHEMBL5663496 0.80 LTA4H (0.60) LTA4HHRH3FAAHMCHR2MCHR1
SCHEMBL5313809 0.80 LTA4H (0.67) LTA4HKMT2AFAAHDRD2MCHR2
SCHEMBL5661085 0.79 LTA4H (0.59) LTA4HHRH3FAAHMCHR2MCHR1
SCHEMBL5661080 0.79 LTA4H (0.59) LTA4HHRH3FAAHMCHR2MCHR1

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 1/4885MEN1 4385/4885KMT2A 1929/4885

“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.