SCHEMBL13453333

SCHEMBL13453333

OB(O)c1ccnc([18F])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
ENPP2 Q13822 6/20 0.37
PLG P00747 1/20 0.37
F12 P00748 1/20 0.37
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MGLL Q99685 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IDO1 P14902 1/20 0.35
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL29649106 1.00 LOXL2 (0.42) LOXL2ENPP2PLGF12F11
SCHEMBL155221 1.00 LOXL2 (0.42) LOXL2ENPP2PLGF12F11
SCHEMBL29738506 0.98 LOXL2 (0.41) LOXL2ENPP2PLGF12F11
SCHEMBL18595956 0.78 LOXL2 (0.36) LOXL2IDO1
SCHEMBL9224607 0.76 CCR1 (0.42) ENPP2PLGF12F11KLKB1
SCHEMBL30151430 0.76 CCR1 (0.42) ENPP2PLGF12F11KLKB1
SCHEMBL1404632 0.74 ENPP2 (0.38) ENPP2PLGF12F11KLKB1
SCHEMBL13921938 0.74 ENPP2 (0.43) ENPP2PLGF12F11KLKB1
SCHEMBL8870 0.73 UHRF1 (0.50) ENPP2PLGF12F11KLKB1
SCHEMBL1462938 0.73 NOS3 (0.46) ENPP2PLGF12F11KLKB1

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-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES GUERBET (FR) 2012-10-18 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-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES SNCA, PSEN2, CLN6 LOXL2 3343/4885ENPP2 259/4885PLG 3789/4885

“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.