SCHEMBL4879939

SCHEMBL4879939

CCOC(=O)COc1ccc(-c2nnc(-c3cccs3)o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.73
ALDH1A1 P00352 11/20 0.73
HPGD P15428 9/20 0.73
MAPT P10636 6/20 0.73
HSD17B10 Q99714 5/20 0.73
TP53 P04637 4/20 0.73
NPC1 O15118 8/20 0.72
RAB9A P51151 8/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HCRTR1 O43613 1/20 0.50
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 1/20 0.47

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
SCHEMBL4507350 0.76 SMN1; SMN2 (0.64) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL13930785 0.73 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL9267668 0.73 GAA (0.70) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL12171933 0.72 RAB9A (0.67) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL5386249 0.71 MAPT (0.74) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL28574227 0.70 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL13116165 0.70 TARBP2 (0.52) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL12646476 0.69 GAA (0.64) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7059841 0.69 ALDH1A1 (0.73) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL11815554 0.69 GAA (0.72) KDM4EALDH1A1HPGDMAPTHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KDM4E 2869/4885ALDH1A1 404/4885HPGD 671/4885

“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.