SCHEMBL5871823

SCHEMBL5871823

COc1cc(OCCC[S+](C)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HSD11B1 P28845 1/20 0.37
NPBWR1 P48145 1/20 0.37

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
SCHEMBL5871987 0.94 MAPT (0.48) MAPTTHRBL3MBTL1ALDH1A1PTGDR2
SCHEMBL5871627 0.91 MAPT (0.40) MAPTTHRBKMT2AL3MBTL1ALDH1A1
SCHEMBL5872271 0.90 MAPT (0.41) MAPTTHRBKMT2AMEN1L3MBTL1
SCHEMBL7955076 0.85 LIPG (0.42) MAPTTHRBKMT2AL3MBTL1ALDH1A1
SCHEMBL7955057 0.83 PDE4A (0.51) MAPTTHRBKMT2AMEN1PDE4A
SCHEMBL5871382 0.82 LIPG (0.37) THRBKMT2AMEN1L3MBTL1NPBWR1
SCHEMBL7954712 0.81 PDE4A (0.48) MAPTTHRBKMT2AMEN1L3MBTL1
SCHEMBL5871439 0.73 LIPG (0.43) MAPTTHRBKMT2AMEN1L3MBTL1
SCHEMBL7954380 0.70 RXFP1 (0.52) MAPTTHRBKMT2AMEN1ALDH1A1
SCHEMBL9709087 0.69 KMT2A (0.50) MAPTTHRBKMT2AL3MBTL1ALDH1A1

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 6 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 claimed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US claimed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP claimed
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 MAPT 2184/4885THRB 3266/4885KMT2A 4290/4885

“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.