SCHEMBL3976933

SCHEMBL3976933

CC(=O)Oc1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.44
ABCB1 P08183 1/20 0.43

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
SCHEMBL3980556 0.90 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL3974772 0.84 GCGR (0.53) ALDH1A1ABCB1
SCHEMBL3978634 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4KMT2A
SCHEMBL3974631 0.78 CTSA (0.47) ALDH1A1CYP3A4KMT2A
SCHEMBL3974199 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4KMT2A
SCHEMBL3976996 0.76 L3MBTL1 (0.51) ALDH1A1CYP3A4KMT2A
SCHEMBL3978024 0.76 CYP3A4 (0.45) ALDH1A1CYP3A4KMT2A
SCHEMBL3977741 0.74 GCGR (0.49) ALDH1A1CYP3A4KMT2A
SCHEMBL3979538 0.73 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL3978777 0.73 CYP3A4 (0.43) ALDH1A1CYP3A4KMT2AABCB1

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 1389/4885CYP3A4 517/4885TSHR 82/4885

“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.