SCHEMBL5545928

SCHEMBL5545928

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
GRIN2B Q13224 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
DGAT2 Q96PD7 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN1 Q05586 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 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
SCHEMBL5547272 1.00 CNR2 (0.43) CNR2GRIN2BL3MBTL1EGLN1ALDH1A1
SCHEMBL5547191 1.00 CNR2 (0.43) CNR2GRIN2BL3MBTL1EGLN1ALDH1A1
SCHEMBL5547244 0.90 CNR2 (0.39) CNR2GRIN2BL3MBTL1EGLN1ALDH1A1
SCHEMBL5538524 0.89 L3MBTL1 (0.47) CNR2L3MBTL1EGLN1ALDH1A1HSD17B10
SCHEMBL5545864 0.89 L3MBTL1 (0.47) CNR2L3MBTL1EGLN1ALDH1A1HSD17B10
SCHEMBL5541030 0.89 L3MBTL1 (0.47) CNR2L3MBTL1EGLN1ALDH1A1HSD17B10
SCHEMBL5538510 0.89 GRIN2B (0.43) CNR2GRIN2BL3MBTL1MEN1KMT2A
SCHEMBL5545316 0.88 CNR2 (0.41) CNR2L3MBTL1EGLN1ALDH1A1HSD17B10
SCHEMBL5540909 0.88 L3MBTL1 (0.41) CNR2GRIN2BL3MBTL1ALDH1A1HSD17B10
SCHEMBL16991731 0.88 L3MBTL1 (0.41) CNR2GRIN2BL3MBTL1ALDH1A1HSD17B10

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 7 patents. 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 claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
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 3954/4885GRIN2B 1400/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885GRIN2B 4036/4885L3MBTL1 1408/4885

“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.