SCHEMBL5543036

SCHEMBL5543036

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCN(C(=O)OCc3ccccc3)CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.42
P2RX3 P56373 1/20 0.39
TRPC3 Q13507 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15163576 0.93 GRIN2B (0.43) GRIN2BP2RX3TRPC3TRPC7L3MBTL1
SCHEMBL5545809 0.92 GRIN2B (0.45) GRIN2BP2RX3TRPC3TRPC7L3MBTL1
SCHEMBL5545339 0.88 HIF1A (0.41) GRIN2BL3MBTL1HIF1ALMNASMN1; SMN2
SCHEMBL5545371 0.87 HIF1A (0.47) L3MBTL1HIF1ALMNAHTT
SCHEMBL5546723 0.85 L3MBTL1 (0.38) GRIN2BL3MBTL1HIF1ATP53SMN1; SMN2
SCHEMBL5540535 0.84 HIF1A (0.40) GRIN2BL3MBTL1HIF1ATP53SMN1; SMN2
SCHEMBL5547423 0.80 TSHR (0.42) CYP2D6CYP2C9CYP3A4HIF1ALMNA
SCHEMBL4584216 0.80 L3MBTL1 (0.44) GRIN2BL3MBTL1HIF1ALMNAHTT
SCHEMBL5540555 0.80 HIF1A (0.41) L3MBTL1HIF1A
SCHEMBL5545366 0.80 L3MBTL1 (0.43) GRIN2BL3MBTL1HIF1AHTTSMN1; SMN2

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 6 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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 GRIN2B 1400/4885P2RX3 4211/4885TRPC3 3757/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GRIN2B 4036/4885P2RX3 4428/4885TRPC3 4565/4885

“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.