SCHEMBL3977971

SCHEMBL3977971

CC(C)CCOc1cccc(-c2ccoc2C(=O)OC(=O)c2ccc(O)c([N+](=O)[O-])c2C(=O)NN)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.33
GCGR P47871 1/20 0.33
GALR3 O60755 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3979851 0.93 MEN1 (0.34) NR1H4GCGRSMN1; SMN2
SCHEMBL3976897 0.91 GCGR (0.40) NR1H4GCGRKDM4EALDH1A1LMNA
SCHEMBL3973173 0.90 GCGR (0.41) NR1H4GCGRKDM4EALDH1A1LMNA
SCHEMBL3982877 0.90 GCGR (0.40) NR1H4GCGRKDM4EALDH1A1LMNA
SCHEMBL3976527 0.90 GCGR (0.40) NR1H4GCGRKDM4EALDH1A1LMNA
SCHEMBL3975376 0.89 NR1H4 (0.38) NR1H4GCGRKDM4EALDH1A1LMNA
SCHEMBL3982544 0.87 GCGR (0.33) GCGR
SCHEMBL3982850 0.86 CTSV (0.37) NR1H4GCGRLMNASMN1; SMN2
SCHEMBL3976529 0.86 GCGR (0.35) GCGRKDM4EALDH1A1GAA
SCHEMBL3976881 0.86 GCGR (0.37) NR1H4GCGRALDH1A1

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 NR1H4 288/4885GCGR 2/4885GALR3 73/4885

“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.