SCHEMBL5897372

SCHEMBL5897372

CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.57
MAPT P10636 6/20 0.50
MAPK1 P28482 3/20 0.50
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 4/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
CACNA1C Q13936 1/20 0.44
PARP1 P09874 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APEX1 P27695 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL28455715 0.86 FBP1 (0.56) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL28457774 0.86 FBP1 (0.73) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL15333406 0.84 FBP1 (0.54) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL28465212 0.82 FBP1 (0.73) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL6199586 0.77 PARP1 (0.50) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL5888027 0.76 PARP1 (0.49) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL1016404 0.76 APEX1 (0.65) MAPTMAPK1NPC1L3MBTL1ALDH1A1
SCHEMBL5897373 0.76 CLEC4M (0.57) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL1652031 0.75 FBP1 (0.68) FBP1MAPTMAPK1NPC1L3MBTL1
SCHEMBL2928150 0.75 LMNA (0.50) FBP1MAPTMAPK1L3MBTL1ALDH1A1

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-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L FBP1 2652/4885MAPT 3124/4885MAPK1 3550/4885

“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.