SCHEMBL5313875

SCHEMBL5313875

CC(C(=O)NCc1ccc(Oc2ccccc2)cc1)N1CCCN(Cc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
LTA4H P09960 3/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
CHRM3 P20309 1/20 0.46
FAAH O00519 3/20 0.44
DRD2 P14416 1/20 0.44
CCR8 P51685 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
SCHEMBL5312878 0.91 LTA4H (0.59) MEN1KMT2ALTA4HHRH3ALDH1A1
SCHEMBL5312528 0.90 CYP2D6 (0.47) CYP2D6CYP2C9HIF1ALTA4HHRH3
SCHEMBL5662078 0.89 LTA4H (0.56) MEN1KMT2ACYP2D6CYP2C9HIF1A
SCHEMBL3032151 0.83 CYP2D6 (0.67) MEN1KMT2ACYP2D6CYP2C9HIF1A
SCHEMBL5662139 0.81 CYP2D6 (0.50) CYP2D6CYP2C9HIF1ALTA4HALDH1A1
SCHEMBL5657184 0.80 LTA4H (0.57) LTA4HHRH3SCN5ASCN9AFAAH
SCHEMBL5310186 0.80 LTA4H (0.69) MEN1KMT2ALTA4HALDH1A1FAAH
SCHEMBL5660153 0.80 LTA4H (0.54) CYP2D6CYP2C9HIF1ALTA4HALDH1A1
SCHEMBL5313095 0.76 CCR8 (0.49) CYP2D6CYP2C9HIF1ALTA4HHRH3
SCHEMBL5312991 0.75 LTA4H (0.80) MEN1KMT2ACYP2D6CYP2C9HIF1A

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 claimed
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 MEN1 4385/4885KMT2A 1929/4885CYP2D6 138/4885

“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.