SCHEMBL5871709

SCHEMBL5871709

O=c1c([I+]c2ccccc2)c([O-])c2cccnc2n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.50
PDE4A P27815 7/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
LDHA P00338 1/20 0.41
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KAT2B Q92831 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.35

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
SCHEMBL5871920 0.86 FEN1 (0.45) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL5872307 0.80 CCNA2 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5872001 0.80 GAA (0.42) FEN1PDE4BPDE4DALDH1A1MAPK1
SCHEMBL5871960 0.79 CNR1 (0.45) PDE4APDE4BPDE4CPDE4DKAT2B
SCHEMBL5872030 0.78 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7945856 0.77 HDAC1 (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7954338 0.77 PTGDR2 (0.41) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7272179 0.71 FEN1 (0.58) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL5871439 0.70 LIPG (0.43) ALDH1A1MAPTL3MBTL1
SCHEMBL5872099 0.69 AURKA (0.53) FEN1LOXL3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 FEN1 2404/4885PDE4A 1039/4885PDE4B 1424/4885

“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.