SCHEMBL16010187

SCHEMBL16010187

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 2/20 0.33
PER2 O15055 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
ROCK2 O75116 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
SCHEMBL16010444 1.00 CNR2 (0.37) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5545848 0.87 EGLN1 (0.39) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5547306 0.87 EGLN1 (0.39) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5545350 0.87 CNR2 (0.40) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16010443 0.86 CNR2 (0.36) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16010186 0.86 CNR2 (0.36) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5545562 0.86 CNR2 (0.39) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5545690 0.86 CNR2 (0.39) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16991728 0.86 CNR2 (0.38) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5541249 0.86 CNR2 (0.40) CNR2ALDH1A1HSD17B10L3MBTL1MEN1

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 3954/4885ALDH1A1 3812/4885HSD17B10 2218/4885

“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.