SCHEMBL7564254

SCHEMBL7564254

O=C(O)CNC(CC(=O)O)c1cccc(COCc2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
FOLH1 Q04609 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSA P10619 1/20 0.34
HTT P42858 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
PDE5A O76074 1/20 0.34
XIAP P98170 1/20 0.33

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
SCHEMBL7570942 0.81 CTSA (0.36) CTSA
SCHEMBL7561352 0.74 KDM4E (0.46) TSHRCTSA
SCHEMBL7562568 0.73 CTSA (0.36) SMN1; SMN2NPC1KMT2ACTSA
SCHEMBL18158008 0.69 KMT2A (0.40) SMN1; SMN2NPC1KMT2ACTSAHTT
SCHEMBL18157974 0.68 MME (0.32) KMT2A
SCHEMBL7567595 0.67 TSHR (0.54) CYSLTR1TSHRSMN1; SMN2NPC1TRPV3
SCHEMBL18158012 0.66 CPB2 (0.43) ITGB1ITGA5XIAP
SCHEMBL21266089 0.64 TSHR (0.48) ITGB1ITGA5TSHRSMN1; SMN2NPC1
SCHEMBL28804838 0.63 SMN1; SMN2 (0.48) FOLH1TSHRSMN1; SMN2NPC1KMT2A
SCHEMBL19419036 0.63 FOLH1 (0.50) FOLH1TSHRSMN1; SMN2

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-20020049190-A1 Pharmaceutical compositions comprising metal complexes ANORMED INC. (CA) 2002-04-25 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-20020049190-A1 Pharmaceutical compositions comprising metal complexes CFD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12 LTA4H 1754/4885ITGB1 2007/4885ITGA5 2345/4885

“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.