SCHEMBL3978604

SCHEMBL3978604

N#Cc1c(O)ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2COC(=O)Nc2ccccc2)c1C(=O)NN

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MGLL Q99685 1/20 0.32
ENPP2 Q13822 1/20 0.31
KISS1R Q969F8 2/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3985231 0.87 ALDH1A1 (0.34) ALDH1A1GAAKISS1R
SCHEMBL3977528 0.87 GAA (0.35) TDP1ALDH1A1GAAKDM4EPOLB
SCHEMBL3977121 0.86 ALDH1A1 (0.36) ALDH1A1GAAKDM4EPOLBLMNA
SCHEMBL3975937 0.83 ALDH1A1 (0.36) ALDH1A1GAAKDM4ELMNASMN1; SMN2
SCHEMBL3976701 0.82 ENPP2 (0.45) MGLLENPP2KISS1R
SCHEMBL3976499 0.81 KDM4E (0.43) TDP1ALDH1A1GAAKDM4EPOLB
SCHEMBL3974765 0.80 ALDH1A1 (0.36) ALDH1A1GAAKDM4EPOLBKISS1R
SCHEMBL3976570 0.80 GAA (0.32) ALDH1A1GAA
SCHEMBL3977604 0.79 ALDH1A1 (0.33) TDP1ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL3978191 0.79 ALDH1A1 (0.35) ALDH1A1GAAKDM4EPOLBKISS1R

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 TDP1 3923/4885ALDH1A1 1389/4885GAA 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.