SCHEMBL4883336

SCHEMBL4883336

c1cncc(-c2cnc(-c3ccc(N4CCOCC4)nc3)o2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
CNR2 P34972 8/20 0.51
LRRK2 Q5S007 2/20 0.46
ATR Q13535 1/20 0.45
AOC3 Q16853 1/20 0.44
MAPT P10636 1/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL4878322 0.87 ALOX15 (0.58) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL724754 0.78 CNR2 (0.47) CNR2LRRK2ATRAOC3PIK3CA
SCHEMBL16773016 0.74 CNR2 (0.69) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4881571 0.74 RAB9A (1.00) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4882549 0.74 RAB9A (0.87) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5238828 0.73 CNR2 (0.54) KDM4EALDH1A1HSD17B10CNR2
SCHEMBL7294070 0.73 CNR2 (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3194240 0.72 RAB9A (0.77) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL6756761 0.72 RAB9A (0.77) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL38656299 0.72 RAB9A (0.67) KDM4EALDH1A1HPGDNPC1RAB9A

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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US 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.