SCHEMBL3976151

SCHEMBL3976151

COc1ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)c(C(=O)NN)c1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CTSD P07339 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 3/20 0.31
POLB P06746 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GRM6 O15303 1/20 0.31
ATR Q13535 1/20 0.31
TP53 P04637 1/20 0.31
KCNA5 P22460 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3974632 0.85 CTSD (0.38) CTSDRXFP1LMNAPOLBNPSR1
SCHEMBL3982901 0.84 TP53 (0.33) CTSDRXFP1LMNAPOLBALDH1A1
SCHEMBL3974207 0.83 ACLY (0.37) CTSDLMNAPOLBNPSR1HTT
SCHEMBL3978639 0.83 HTT (0.37) CTSDRXFP1LMNAPOLBHTT
SCHEMBL3978027 0.83 CTSD (0.37) CTSDRXFP1LMNAPOLBNPSR1
SCHEMBL3982340 0.83 CTSD (0.36) CTSDRXFP1LMNAPOLBNPSR1
SCHEMBL3977002 0.83 POLB (0.37) CTSDRXFP1LMNAPOLBNPSR1
SCHEMBL3978783 0.82 S1PR1 (0.35) CTSDRXFP1LMNAPOLBNPSR1
SCHEMBL3976794 0.81 TP53 (0.33) CTSDRXFP1POLBTP53
SCHEMBL3979544 0.80 HPGD (0.41) CTSDLMNANPSR1HTTALDH1A1

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 MTNR1A 151/4885MTNR1B 161/4885CTSD 2014/4885

“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.