SCHEMBL5657997

SCHEMBL5657997

COC(=O)c1ccc(CN(C)CC(C)N(C)CC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.48
LTA4H P09960 6/20 0.48
ATM Q13315 1/20 0.47
ACHE P22303 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5313264 0.91 MAPT (0.52) MAPTKDM4EALDH1A1LTA4HACHE
SCHEMBL5310940 0.85 LTA4H (0.66) MAPTKDM4EALDH1A1LTA4HMEN1
SCHEMBL5312752 0.81 LTA4H (0.56) MAPTKDM4EALDH1A1TP53LTA4H
SCHEMBL5312545 0.77 LTA4H (0.77) LTA4H
SCHEMBL5385123 0.77 LTA4H (0.54) MAPTKDM4EALDH1A1TP53LTA4H
SCHEMBL4361298 0.75 MAPT (0.77) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL5392156 0.73 MAPT (0.77) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL5312334 0.72 LTA4H (0.85) LTA4H
SCHEMBL20249538 0.71 LTA4H (0.63) MAPTLTA4HATMACHERAB9A
SCHEMBL13052122 0.70 ACHE (0.66) MAPTKDM4EALDH1A1ACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.