SCHEMBL3982850

SCHEMBL3982850

NNC(=O)c1c(C(=O)OC(=O)c2occc2-c2cccc(OCc3ccccc3)c2)ccc(O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
GCGR P47871 1/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMPD1 P17405 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 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
SCHEMBL3975376 0.94 NR1H4 (0.38) NR1H4GCGRMAOBLMNASMN1; SMN2
SCHEMBL3976881 0.93 GCGR (0.37) TDP1NR1H4GCGRMAOBMAPT
SCHEMBL3978040 0.93 SMPD1 (0.38) GCGRMAOBMEN1MAPTKMT2A
SCHEMBL3978025 0.93 MAOB (0.37) NR1H4GCGRMAOBMEN1KMT2A
SCHEMBL3979464 0.91 PDE4A (0.36) TDP1GCGRMAOB
SCHEMBL3982353 0.90 MAPT (0.37) TDP1GCGRMAOBMAPTMAPK1
SCHEMBL3977571 0.90 SPHK2 (0.36) TDP1GCGRMAPK1SMN1; SMN2
SCHEMBL3978234 0.89 ACMSD (0.37) GCGR
SCHEMBL3973991 0.89 GCGR (0.33) CTSVCTSLGCGRMAOB
SCHEMBL3979851 0.88 MEN1 (0.34) NR1H4GCGRMEN1MAPTKMT2A

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 CTSV 2766/4885CTSL 2389/4885TDP1 3923/4885

“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.