SCHEMBL1353016

SCHEMBL1353016

CC(C)(C)N(C(=O)O)c1ncccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36
RAB9A P51151 1/20 0.36
MYC P01106 2/20 0.35
BLM P54132 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
AGER Q15109 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL870085 0.78 KDM4E (0.36) KMT2AKDM4ENPSR1L3MBTL1MEN1
SCHEMBL3398126 0.78 NAPRT (0.39) KMT2AKDM4ENPSR1L3MBTL1MEN1
SCHEMBL2302256 0.77 KDM4E (0.42) KMT2AKDM4ENPSR1L3MBTL1MYC
SCHEMBL2215225 0.77 TRIM24 (0.42) TRIM24TRIM33KMT2AKDM4ENPSR1
SCHEMBL1119415 0.76 ALDH1A1 (0.32) KMT2AKDM4EALDH1A1CYP3A4LMNA
SCHEMBL17700417 0.75 KDM4E (0.38) KMT2AKDM4ENPSR1L3MBTL1MEN1
SCHEMBL1427899 0.74 KMT2A (0.40) TRIM24TRIM33KMT2AL3MBTL1MEN1
SCHEMBL15240963 0.74 ERN1 (0.35) ERN1
SCHEMBL1160881 0.74 MEN1 (0.33) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL29954331 0.73 TRIM24 (0.52) TRIM24TRIM33KMT2AKDM4ENPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG TRIM24 1708/4885TRIM33 3278/4885KMT2A 1363/4885

“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.