SCHEMBL16010443

SCHEMBL16010443

CC(C)(C)C[C@@H](CC(=O)O)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCCC2=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PER2 O15055 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HIF1A Q16665 1/20 0.33
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL16010186 1.00 CNR2 (0.36) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5545848 0.90 EGLN1 (0.39) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5547306 0.90 EGLN1 (0.39) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5546818 0.89 CNR2 (0.38) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5546524 0.87 CNR2 (0.38) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL16010187 0.86 CNR2 (0.37) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL16010444 0.86 CNR2 (0.37) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5545562 0.86 CNR2 (0.39) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5538901 0.86 ALDH1A1 (0.38) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5545350 0.86 CNR2 (0.40) CNR2L3MBTL1ALDH1A1HSD17B10MEN1

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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885L3MBTL1 1411/4885ALDH1A1 3812/4885

“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.