SCHEMBL3974971

SCHEMBL3974971

CCc1coc(C(=O)OC(=O)c2ccc(O)c(C#N)c2C(=O)NN)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HPGD P15428 5/20 0.38
GAA P10253 3/20 0.38
HTT P42858 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 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
SCHEMBL3978288 0.93 ALDH1A1 (0.34) ALDH1A1HPGDGAAHTTNPSR1
SCHEMBL3975937 0.89 ALDH1A1 (0.36) ALDH1A1HPGDGAAHTTNPSR1
SCHEMBL4248617 0.89 ALDH1A1 (0.33) ALDH1A1HPGDGAAKDM4E
SCHEMBL3981371 0.88 TACR1 (0.38) ALDH1A1HPGDGAAL3MBTL1KDM4E
SCHEMBL3977528 0.87 GAA (0.35) ALDH1A1HPGDGAAHTTNPSR1
SCHEMBL3980870 0.87 IKBKB (0.34) ALDH1A1HPGDGAAKDM4ESMN1; SMN2
SCHEMBL3977121 0.86 ALDH1A1 (0.36) ALDH1A1HPGDGAAHTTNPSR1
SCHEMBL4282780 0.86 GAA (0.32) ALDH1A1HPGDGAAHTTNPSR1
SCHEMBL3979485 0.85 MAPT (0.41) ALDH1A1HPGDGAAHTTNPSR1
SCHEMBL3977604 0.84 ALDH1A1 (0.33) ALDH1A1HPGDGAAMAPTSMN1; SMN2

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 ALDH1A1 1389/4885HPGD 299/4885GAA 1023/4885

“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.