SCHEMBL3980558

SCHEMBL3980558

COc1ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)c(C(=O)NN)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 2/20 0.35
CTSD P07339 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3976937 0.92 NPC1 (0.32) POLBKDM4ECTSDALDH1A1ADORA2A
SCHEMBL3975602 0.89 MEN1 (0.33) CTSDALDH1A1LMNAMEN1KMT2A
SCHEMBL3974632 0.89 CTSD (0.38) POLBKDM4ECTSDHPGDALDH1A1
SCHEMBL3978027 0.87 CTSD (0.37) POLBKDM4ECTSDHPGDALDH1A1
SCHEMBL3974207 0.87 ACLY (0.37) POLBKDM4EL3MBTL1CTSDALDH1A1
SCHEMBL3978639 0.87 HTT (0.37) POLBKDM4ECTSDALDH1A1TP53
SCHEMBL3977002 0.86 POLB (0.37) POLBKDM4ECTSDHPGDALDH1A1
SCHEMBL3982340 0.86 CTSD (0.36) POLBKDM4ECTSDALDH1A1GALR3
SCHEMBL3979544 0.84 HPGD (0.41) KDM4EL3MBTL1CTSDHPGDALDH1A1
SCHEMBL3978783 0.84 S1PR1 (0.35) POLBKDM4ECTSDTP53LMNA

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-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 POLB 4676/4885KDM4E 2769/4885CTDSP1 4534/4885

“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.