SCHEMBL4876797

SCHEMBL4876797

COC(=O)c1ccc(-c2ncc(-c3cccnc3)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
KDM4E B2RXH2 6/20 0.60
HPGD P15428 6/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MAPT P10636 4/20 0.60
TP53 P04637 3/20 0.60
GAA P10253 3/20 0.60
GLA P06280 2/20 0.60
MAPK1 P28482 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 2/20 0.57
CYP19A1 P11511 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
SLC2A1 P11166 1/20 0.55
HSD17B10 Q99714 4/20 0.55
CYP1A2 P05177 1/20 0.52

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
SCHEMBL3377076 0.87 RAB9A (0.68) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL38656864 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL2345607 0.81 CYP19A1 (0.74) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL4880206 0.80 KDM4E (0.89) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL4880945 0.80 NPC1 (0.59) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL26915290 0.79 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL26915340 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL29215197 0.78 NPC1 (0.57) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL4882549 0.78 RAB9A (0.87) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL29248979 0.77 ALOX15 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1

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 ALDH1A1 404/4885SMN1; SMN2 4756/4885KDM4E 2869/4885

“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.