SCHEMBL3981371

SCHEMBL3981371

CC(C)(C)[Si](C)(C)OCc1coc(C(=O)OC(=O)c2ccc(O)c(C#N)c2C(=O)NN)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 4/20 0.31
GAA P10253 3/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KISS1R Q969F8 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
SCHEMBL3974971 0.88 ALDH1A1 (0.38) ALDH1A1GAAHPGDKDM4EL3MBTL1
SCHEMBL3978288 0.86 ALDH1A1 (0.34) ALDH1A1GAAHPGDKDM4EL3MBTL1
SCHEMBL4248617 0.85 ALDH1A1 (0.33) ALDH1A1GAAHPGDKDM4EPOLB
SCHEMBL3977528 0.83 GAA (0.35) ALDH1A1GAAHPGDKDM4EPOLB
SCHEMBL3984992 0.82 KDM4E (0.35) ALDH1A1GAAHPGDKDM4EPOLB
SCHEMBL3975937 0.82 ALDH1A1 (0.36) ALDH1A1GAAHPGDKDM4EL3MBTL1
SCHEMBL3980870 0.80 IKBKB (0.34) ALDH1A1GAAHPGDKDM4E
SCHEMBL3977604 0.80 ALDH1A1 (0.33) ALDH1A1GAAHPGDPOLB
SCHEMBL4282780 0.80 GAA (0.32) ALDH1A1GAAHPGDKDM4E
SCHEMBL3979485 0.78 MAPT (0.41) ALDH1A1GAAHPGDKDM4E

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 TACR1 485/4885BACE1 2433/4885ALDH1A1 1389/4885

“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.