SCHEMBL5872030

SCHEMBL5872030

CCCn1c(=O)c([I+]c2ccccc2)c([O-])c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.43
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTT P42858 2/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5872307 0.91 CCNA2 (0.39) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL7945856 0.87 HDAC1 (0.48) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL5871960 0.85 CNR1 (0.45) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL5871920 0.84 FEN1 (0.45) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL5872204 0.80 MAPT (0.53) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL5871709 0.78 FEN1 (0.50) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7945833 0.78 L3MBTL1 (0.51) MAPTHTTTDP1L3MBTL1ALDH1A1
SCHEMBL5871439 0.78 LIPG (0.43) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL7954338 0.76 PTGDR2 (0.41) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL5872001 0.74 GAA (0.42) PDE4DPDE4BMEN1KMT2ACNR1

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 PDE4D 1360/4885PDE4A 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.