SCHEMBL3983006

SCHEMBL3983006

COc1c(Cl)cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 3/20 0.46
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACLY P53396 1/20 0.42
TP53 P04637 1/20 0.40

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
SCHEMBL3974199 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL3976756 0.86 ACLY (0.40) ALDH1A1KDM4EL3MBTL1HPGDCYP1A2
SCHEMBL3982131 0.81 KMT2A (0.40) ALDH1A1LMNAKMT2AMEN1CYP1A2
SCHEMBL3982880 0.81 KMT2A (0.54) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL3974631 0.81 CTSA (0.47) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL3978634 0.81 CYP3A4 (0.56) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL3977741 0.79 GCGR (0.49) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL3982336 0.78 LMNA (0.47) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL3976996 0.78 L3MBTL1 (0.51) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL3978024 0.78 CYP3A4 (0.45) ALDH1A1KDM4EL3MBTL1HPGDLMNA

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 1389/4885KDM4E 2769/4885L3MBTL1 2556/4885

“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.