SCHEMBL4881342

SCHEMBL4881342

c1ccc(-c2cnc(-c3csc(-c4cccnc4)n3)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
RAB9A P51151 4/20 0.66
ALDH1A1 P00352 3/20 0.66
NPC1 O15118 3/20 0.63
HSD17B10 Q99714 3/20 0.63
HPGD P15428 2/20 0.63
CYP19A1 P11511 8/20 0.62
AXL P30530 1/20 0.61
PBRM1 Q86U86 1/20 0.61
MKNK1 Q9BUB5 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
HPGDS O60760 1/20 0.61
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
ALOX15 P16050 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 2/20 0.53

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
SCHEMBL23657474 0.82 RAB9A (0.69) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL7495850 0.80 RAB9A (1.00) KDM4ERAB9AALDH1A1NPC1HSD17B10
Hydrochloric Acid SCHEMBL11452940 0.79 RAB9A (0.97) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL4881571 0.79 RAB9A (1.00) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL11460926 0.78 RAB9A (0.94) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL30128572 0.77 CYP19A1 (1.00) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL19051411 0.77 CYP19A1 (1.00) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL6196239 0.77 CYP19A1 (1.00) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL2316583 0.76 HPGDS (1.00) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL4882549 0.76 RAB9A (0.87) KDM4ERAB9AALDH1A1NPC1HSD17B10

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 2869/4885RAB9A 3960/4885ALDH1A1 404/4885

“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.