SCHEMBL5545781

SCHEMBL5545781

CC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNS(C)(=O)=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
TBXAS1 P24557 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
PLK1 P53350 1/20 0.34
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CG P48736 1/20 0.33
BRS3 P32247 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
SCHEMBL5539001 0.92 CNR2 (0.40) CNR2L3MBTL1TBXAS1MEN1KMT2A
SCHEMBL16009908 0.92 CNR2 (0.40) CNR2L3MBTL1TBXAS1MEN1KMT2A
SCHEMBL5547213 0.90 CNR2 (0.43) CNR2L3MBTL1MEN1KMT2AEGLN1
SCHEMBL5538721 0.88 L3MBTL1 (0.40) CNR2L3MBTL1MEN1KMT2AEGLN1
SCHEMBL5545286 0.88 CNR2 (0.44) CNR2L3MBTL1MEN1KMT2AEGLN1
SCHEMBL5540538 0.88 CNR2 (0.46) CNR2L3MBTL1MEN1KMT2AEGLN1
SCHEMBL5545316 0.88 CNR2 (0.41) CNR2L3MBTL1MEN1KMT2AEGLN1
SCHEMBL5541030 0.87 L3MBTL1 (0.47) CNR2L3MBTL1MEN1KMT2AEGLN1
SCHEMBL5538524 0.87 L3MBTL1 (0.47) CNR2L3MBTL1MEN1KMT2AEGLN1
SCHEMBL5545864 0.87 L3MBTL1 (0.47) CNR2L3MBTL1MEN1KMT2AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885L3MBTL1 1411/4885TBXAS1 2841/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885L3MBTL1 1408/4885TBXAS1 2960/4885

“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.