SCHEMBL4879189

SCHEMBL4879189

CC(=O)Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.75
NPC1 O15118 8/20 0.75
KMT2A Q03164 7/20 0.75
KDM4E B2RXH2 6/20 0.75
ALDH1A1 P00352 6/20 0.75
MEN1 O00255 6/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
GAA P10253 4/20 0.75
HPGD P15428 4/20 0.75
MAPT P10636 3/20 0.75
TP53 P04637 2/20 0.75
HSD17B10 Q99714 2/20 0.75
MAPK1 P28482 1/20 0.75
SMO Q99835 1/20 0.70
TSHR P16473 2/20 0.64
ALOX15 P16050 1/20 0.64
CASP1 P29466 1/20 0.64
CLK1 P49759 1/20 0.61
GFER P55789 1/20 0.61
NFKB1 P19838 2/20 0.60

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
SCHEMBL4880945 0.87 NPC1 (0.59) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL24951574 0.85 NPC1 (0.57) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL4260914 0.82 SMO (1.00) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL5960622 0.81 RAB9A (0.74) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL10726923 0.80 ALOX15 (1.00) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL75219 0.80 ALOX15 (1.00) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL12488510 0.80 RAB9A (0.59) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL4884840 0.79 AURKA (0.55) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL2684521 0.78 ALOX15 (0.96) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL1267325 0.78 ALOX15 (0.96) RAB9ANPC1KMT2AKDM4EALDH1A1

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 2 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 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 RAB9A 3960/4885NPC1 2981/4885KMT2A 3103/4885

“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.