SCHEMBL3978040

SCHEMBL3978040

COc1ccc(COc2cccc(-c3ccoc3C(=O)OC(=O)c3ccc(O)c([N+](=O)[O-])c3C(=O)NN)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GCGR P47871 1/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
SLC2A1 P11166 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL3976881 0.93 GCGR (0.37) MAPTMAPK1ALDH1A1GCGRMAOA
SCHEMBL3982850 0.93 CTSV (0.37) SMPD1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL3979464 0.91 PDE4A (0.36) ALDH1A1GCGRPDE4APDE4BPDE4C
SCHEMBL3982353 0.91 MAPT (0.37) HPGDMAPTMAPK1ALDH1A1KDM4E
SCHEMBL3978025 0.90 MAOB (0.37) MEN1KMT2AGCGRMAOAMAOB
SCHEMBL3976897 0.88 GCGR (0.40) MAPTLMNASMN1; SMN2MAPK1MEN1
SCHEMBL3977571 0.88 SPHK2 (0.36) HPGDSMN1; SMN2MAPK1RAB9AGCGR
SCHEMBL3979851 0.87 MEN1 (0.34) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL3973125 0.87 GCGR (0.33) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL3975376 0.87 NR1H4 (0.38) LMNASMN1; SMN2ALDH1A1HTTKDM4E

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-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US claimed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US claimed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP claimed
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 SMPD1 2315/4885HPGD 299/4885MAPT 4833/4885

“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.