SCHEMBL3982928

SCHEMBL3982928

COc1ccc(C(=O)NN)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.49
HDAC6 Q9UBN7 9/20 0.49
HDAC8 Q9BY41 8/20 0.49
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 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
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL3601292 0.85 KDM4E (0.52) HDAC1HDAC6HDAC8KMT2ATP53
SCHEMBL3982009 0.85 PPARG (0.55) HDAC1HDAC6HDAC8KMT2ATP53
SCHEMBL30362191 0.85 PPARG (0.55) HDAC1HDAC6HDAC8KMT2ATP53
SCHEMBL6118023 0.81 RAD52 (0.52) KMT2ATP53GAAMEN1ALDH1A1
SCHEMBL29991362 0.79 GAA (0.60) KMT2ACYP1A2TP53GAAMEN1
SCHEMBL115661 0.79 GAA (0.60) KMT2ACYP1A2TP53GAAMEN1
SCHEMBL2073767 0.78 AAK1 (0.47) KMT2ACYP1A2GAAMEN1ALDH1A1
SCHEMBL9383033 0.78 KMT2A (0.51) KMT2ACYP1A2L3MBTL1GAAMEN1
SCHEMBL6118268 0.77 ALDH1A1 (0.56) KMT2ACYP1A2TP53GAAMEN1
SCHEMBL12429171 0.77 ALDH1A1 (0.52) KMT2ACYP1A2TP53GAAMEN1

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 HDAC1 1105/4885HDAC6 2835/4885HDAC8 2532/4885

“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.