SCHEMBL4166548

SCHEMBL4166548

[2H]C1([2H])CCN(C(=O)OC(C)(C)C)[C@]([2H])(Cc2cn3cc(C(F)(F)F)ccc3n2)C1([2H])[2H]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EIF2AK4 Q9P2K8 5/20 0.38
MCHR1 Q99705 4/20 0.37
METTL3 Q86U44 2/20 0.35
GPR119 Q8TDV5 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL2120840 0.81 METTL3 (0.47) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL2123364 0.81 METTL3 (0.35) MAPTKDM4EALDH1A1HPGDEIF2AK4
SCHEMBL2123041 0.76 KDM4E (0.33) KDM4EALDH1A1HPGDMETTL3GPR119
SCHEMBL24360203 0.75 EIF2AK4 (0.43) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL31516089 0.75 EIF2AK4 (0.43) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL2518344 0.72 KDM4E (0.46) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL2536526 0.70 KDM4E (0.34) KDM4EALDH1A1HPGDGPR119LMNA
SCHEMBL4153904 0.70 MCHR1 (0.42) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2120937 0.69 METTL3 (0.44) KDM4EALDH1A1HPGDMETTL3POLB
SCHEMBL2512568 0.67 SMN1; SMN2 (0.35) MAPTKDM4EALDH1A1SMN1; SMN2L3MBTL1

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-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 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-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 MAPT 2722/4885KDM4E 3080/4885NPC1 67/4885

“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.