SCHEMBL5313799

SCHEMBL5313799

COC(=O)c1ccc(CN(CCN(C)C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LTA4H P09960 15/20 0.62
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ACHE P22303 1/20 0.50
TP53 P04637 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
SCHEMBL5662457 0.90 LTA4H (0.68) MAPTKDM4EALDH1A1LTA4H
SCHEMBL5656997 0.90 LTA4H (0.62) MAPTKDM4EALDH1A1LTA4HACHE
SCHEMBL5311089 0.90 LTA4H (0.62) MAPTKDM4EALDH1A1LTA4HACHE
SCHEMBL5660589 0.89 LTA4H (0.61) MAPTKDM4EALDH1A1LTA4HACHE
SCHEMBL5312495 0.86 LTA4H (0.74) LTA4H
SCHEMBL5660774 0.85 LTA4H (0.56) LTA4H
SCHEMBL5385977 0.84 EPHX2 (0.51) MAPTKDM4EALDH1A1LTA4HNPC1
SCHEMBL5312334 0.84 LTA4H (0.85) LTA4H
SCHEMBL5660121 0.82 MAPT (0.50) MAPTKDM4EALDH1A1LTA4HNPC1
SCHEMBL5314870 0.81 LTA4H (0.70) MAPTKDM4EALDH1A1LTA4HACHE

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 MAPT 4374/4885KDM4E 1019/4885ALDH1A1 1337/4885

“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.