SCHEMBL3976939

SCHEMBL3976939

COc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP3A4 P08684 1/20 0.52
NOX1 Q9Y5S8 1/20 0.47
ABCB1 P08183 1/20 0.46

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 0.91 CYP3A4 (0.56) SMPD1KDM4EMEN1KMT2ANPC1
SCHEMBL3974631 0.86 CTSA (0.47) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL3977741 0.84 GCGR (0.49) KDM4EMEN1KMT2ARAB9AHPGD
SCHEMBL3978024 0.83 CYP3A4 (0.45) SMPD1KDM4EMEN1KMT2ANPC1
SCHEMBL3974199 0.83 ALDH1A1 (0.59) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL3982336 0.83 LMNA (0.47) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL3979538 0.81 ALDH1A1 (0.49) KDM4EMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3978777 0.81 CYP3A4 (0.43) KDM4EMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3980556 0.80 ALDH1A1 (0.61) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL3976789 0.79 TDP1 (0.50) CYP3A4

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 SMPD1 2315/4885HDAC1 1105/4885HDAC8 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.