SCHEMBL6513737

SCHEMBL6513737

CCO/C=C/c1c(C(N)=O)nc(O)c2c1ccn2Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
GRM2 Q14416 4/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
OPRD1 P41143 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK14 Q16539 1/20 0.32
DRD2 P14416 1/20 0.32
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.32
SRC P12931 1/20 0.32
MAOB P27338 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL5331629 0.85 EGLN1 (0.38) GAAL3MBTL1EGLN1GRM2CA12
SCHEMBL3495324 0.74 MAOB (0.38) GAAL3MBTL1LMNATP53RXFP1
SCHEMBL3495861 0.74 PDE4B (0.39) L3MBTL1LMNAOPRD1ALDH1A1MAPT
SCHEMBL3495326 0.74 MAOB (0.38) GAAL3MBTL1LMNATP53RXFP1
SCHEMBL3495858 0.74 PDE4B (0.39) L3MBTL1LMNAOPRD1ALDH1A1MAPT
SCHEMBL6513744 0.73 MAPT (0.40) L3MBTL1EGLN1GRM2LMNATP53
SCHEMBL3495556 0.73 HDAC6 (0.43) GAAL3MBTL1EGLN1MAOBHDAC3
SCHEMBL3495549 0.73 HDAC6 (0.43) GAAL3MBTL1EGLN1MAOBHDAC3
SCHEMBL4962821 0.69 L3MBTL1 (0.39) GAAL3MBTL1EGLN1GRM2LMNA
SCHEMBL4975638 0.66 MMP1 (0.36) GAAL3MBTL1LMNATP53RXFP1

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-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP GAA 47/4885L3MBTL1 1389/4885EGLN1 3711/4885

“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.