SCHEMBL5385977

SCHEMBL5385977

COC(=O)c1ccc(CN(CCN(C)C)CC(=O)Nc2ccc(Oc3nc4ccccc4s3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTA4H P09960 9/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MGLL Q99685 1/20 0.44
CTSD P07339 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE10A Q9Y233 1/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL5656939 0.93 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5313799 0.84 MAPT (0.62) MAPTALDH1A1KDM4ELTA4HNPC1
SCHEMBL28623538 0.78 CYP1A2 (0.73) EPHX2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5660589 0.76 LTA4H (0.61) MAPTALDH1A1KDM4ELTA4H
SCHEMBL5376062 0.75 LTA4H (0.55) MAPTALDH1A1KDM4ELTA4HNPC1
SCHEMBL5662457 0.75 LTA4H (0.68) MAPTALDH1A1KDM4ELTA4HL3MBTL1
SCHEMBL5311089 0.75 LTA4H (0.62) MAPTALDH1A1KDM4ELTA4HMEN1
SCHEMBL5656997 0.75 LTA4H (0.62) MAPTALDH1A1KDM4ELTA4H
SCHEMBL5660121 0.73 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2LTA4H
SCHEMBL11130435 0.73 SMN1; SMN2 (0.61) EPHX2MAPTALDH1A1SMN1; SMN2CYP1A2

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 EPHX2 109/4885MAPT 4374/4885ALDH1A1 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.