SCHEMBL3982880

SCHEMBL3982880

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 2/20 0.54
CTDSP1 Q9GZU7 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTGS2 P35354 1/20 0.49
PKM P14618 1/20 0.48
CDK5 Q00535 1/20 0.48

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
SCHEMBL3977724 0.85 NPC1 (0.50) KMT2ARAB9ACTDSP1ALDH1A1GAA
SCHEMBL3982902 0.85 CA1 (0.46) KMT2ARAB9APOLBCTDSP1ALDH1A1
SCHEMBL3978634 0.84 CYP3A4 (0.56) KMT2ARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL3974631 0.84 CTSA (0.47) KMT2AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3976138 0.84 RAB9A (0.50) KMT2ARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL3979482 0.84 KMT2A (0.46) KMT2ARAB9APOLBCTDSP1ALDH1A1
SCHEMBL3977741 0.82 GCGR (0.49) KMT2ARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL3978024 0.82 CYP3A4 (0.45) KMT2ARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL3982336 0.82 LMNA (0.47) KMT2ARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL3974199 0.82 ALDH1A1 (0.59) KMT2ARAB9AALDH1A1GAASMN1; SMN2

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 KMT2A 3459/4885RAB9A 2501/4885POLB 4676/4885

“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.