SCHEMBL3982877

SCHEMBL3982877

CCCCCCOc1cccc(-c2ccoc2C(=O)OC(=O)c2ccc(O)c([N+](=O)[O-])c2C(=O)NN)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
PTPN11 Q06124 2/20 0.37
SMPD1 P17405 3/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PTGS2 P35354 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL3976527 1.00 GCGR (0.40) GCGRPTPN11SMPD1KDM4EALDH1A1
SCHEMBL3973173 0.99 GCGR (0.41) GCGRPTPN11SMPD1KDM4EALDH1A1
SCHEMBL3976897 0.97 GCGR (0.40) GCGRPTPN11KDM4EALDH1A1LMNA
SCHEMBL3978786 0.90 GCGR (0.44) GCGRPTPN11LMNASMN1; SMN2
SCHEMBL3977971 0.90 NR1H4 (0.33) GCGRKDM4EALDH1A1LMNAGAA
SCHEMBL3975376 0.89 NR1H4 (0.38) GCGRKDM4EALDH1A1LMNAGAA
SCHEMBL3976511 0.89 GCGR (0.48) GCGR
SCHEMBL3979851 0.89 MEN1 (0.34) GCGRSMN1; SMN2NR1H4
SCHEMBL3977722 0.88 GCGR (0.48) GCGR
SCHEMBL3982544 0.87 GCGR (0.33) GCGR

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 GCGR 2/4885PTPN11 544/4885SMPD1 2315/4885

“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.