SCHEMBL6854544

SCHEMBL6854544

CC(C)(C)OC(=O)NC(CO)Cn1cnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.52
FDPS P14324 2/20 0.47
GGPS1 O95749 1/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
AGER Q15109 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
IDO1 P14902 1/20 0.44
KMT2A Q03164 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6854543 1.00 APAF1 (0.52) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL6853236 0.84 AGER (0.60) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL21592236 0.81 APAF1 (0.48) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL495743 0.80 KLK5 (0.52) APAF1MAPTPOLBCYP3A4CYP2D6
SCHEMBL495741 0.80 KLK5 (0.52) APAF1MAPTPOLBCYP3A4CYP2D6
SCHEMBL6855900 0.80 MAPT (0.44) APAF1MAPTPOLBCYP3A4CYP2D6
SCHEMBL6855903 0.80 MAPT (0.44) APAF1MAPTPOLBCYP3A4CYP2D6
SCHEMBL31421127 0.77 EGLN3 (0.52) APAF1FDPSLMNAKDM4ENPC1
SCHEMBL21256159 0.77 EGLN3 (0.52) APAF1FDPSLMNAKDM4ENPC1
SCHEMBL26818938 0.76 CYP3A4 (0.46) APAF1FDPSMAPTPOLBCYP3A4

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-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 APAF1 1516/4885FDPS 1884/4885GGPS1 1740/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 APAF1 1516/4885FDPS 1884/4885GGPS1 1740/4885

“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.