SCHEMBL4880606

SCHEMBL4880606

COc1ccc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.70
ALDH1A1 P00352 6/20 0.70
MAPT P10636 6/20 0.70
HPGD P15428 5/20 0.70
HSD17B10 Q99714 4/20 0.70
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.70
CYP2C19 P33261 1/20 0.70
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
LMNA P02545 1/20 0.68
KMT2A Q03164 1/20 0.58
TP53 P04637 2/20 0.58
ALOX15 P16050 1/20 0.58
PRKDC P78527 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL2208450 0.84 AKR1C3 (0.68) KDM4EALDH1A1MAPTHSD17B10RAB9A
Nitrogen SCHEMBL7794313 0.82 AKR1C3 (0.62) KDM4EALDH1A1MAPTHSD17B10RAB9A
SCHEMBL12431038 0.82 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4349056 0.82 AKR1C3 (0.66) KDM4EALDH1A1MAPTHSD17B10RAB9A
SCHEMBL19131011 0.81 KDM4E (0.68) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL12386749 0.81 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL13004548 0.80 NPC1 (0.85) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4873317 0.80 NPC1 (0.62) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL1453639 0.79 MAPT (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL18415522 0.79 AKR1C3 (0.62) KDM4EALDH1A1MAPTHSD17B10RAB9A

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 404/4885MAPT 4095/4885

“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.