SCHEMBL4374760

SCHEMBL4374760

O=C1C=C(Nc2cccc(C(=O)O)c2)C(Nc2cccc(C(=O)O)c2)=NC1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.59
MAP2K7 O14733 2/20 0.59
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RHOA P61586 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CDC25A P30304 2/20 0.44
NSD2 O96028 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4060006 0.88 MAP2K7 (0.45) CDC25BMAP2K7RAB9ANPC1MAPT
SCHEMBL4382184 0.83 RAB9A (0.45) CDC25BMAP2K7RAB9ANPC1MAPT
SCHEMBL30193901 0.82 CDC25B (0.71) CDC25BMAP2K7RAB9ANPC1MAPT
SCHEMBL23831115 0.82 CDC25B (0.71) CDC25BMAP2K7RAB9ANPC1MAPT
SCHEMBL4058567 0.79 KMT2A (0.41) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL4056980 0.77 NPC1 (0.47) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL29098354 0.74 CDC25B (0.60) CDC25BMAP2K7RAB9ANPC1MAPT
SCHEMBL13187310 0.74 CDC25B (1.00) CDC25BMAP2K7RAB9ANPC1MAPT
3-Phenylamino Benzoic Acid SCHEMBL4345076 0.70 RHOA (0.77) CDC25BMAP2K7RAB9AMAPTKDM4E
SCHEMBL30633056 0.70 RHOA (0.93) CDC25BRAB9ANPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US disclosed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES CDC25B 359/4885MAP2K7 1803/4885RAB9A 4115/4885

“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.