SCHEMBL3974631

SCHEMBL3974631

COc1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KAT6A Q92794 1/20 0.43
PKM P14618 1/20 0.43
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL3978634 0.93 CYP3A4 (0.56) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3976996 0.90 L3MBTL1 (0.51) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3982336 0.90 LMNA (0.47) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3974199 0.90 ALDH1A1 (0.59) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3978024 0.90 CYP3A4 (0.45) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3977741 0.89 GCGR (0.49) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3979538 0.87 ALDH1A1 (0.49) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3978777 0.87 CYP3A4 (0.43) CYP3A4ALDH1A1MAPTHPGDGAA
SCHEMBL3976939 0.86 SMPD1 (0.55) CYP3A4HPGDKMT2AKDM4EMEN1
SCHEMBL3980556 0.86 ALDH1A1 (0.61) CYP3A4ALDH1A1MAPTHPGDKMT2A

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 CTSA 1333/4885CYP3A4 517/4885ALDH1A1 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.