SCHEMBL5540799

SCHEMBL5540799

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCN(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRIN2B Q13224 7/20 0.41
GRIN1 Q05586 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL5538439 0.94 GRIN2B (0.45) MAPTTP53GRIN2BGRIN1L3MBTL1
SCHEMBL5543265 0.91 GRIN2B (0.43) MAPTTP53GRIN2BGRIN1L3MBTL1
SCHEMBL5539138 0.91 MAPT (0.46) MAPTTP53RXFP1GRIN2BGRIN1
SCHEMBL5545763 0.91 L3MBTL1 (0.42) TP53GRIN2BGRIN1L3MBTL1KDM4E
SCHEMBL5547220 0.90 GRIN2B (0.44) MAPTTP53RXFP1GRIN2BGRIN1
SCHEMBL5547133 0.90 L3MBTL1 (0.41) TP53RXFP1GRIN2BGRIN1L3MBTL1
SCHEMBL4586053 0.89 L3MBTL1 (0.40) RXFP1GRIN2BGRIN1L3MBTL1KDM4E
SCHEMBL5545653 0.88 GRIN2B (0.40) TP53GRIN2BGRIN1L3MBTL1KDM4E
SCHEMBL5546815 0.88 L3MBTL1 (0.39) RXFP1GRIN2BGRIN1L3MBTL1KDM4E
SCHEMBL5545301 0.88 KDM4E (0.47) MAPTTP53RXFP1GRIN2BGRIN1

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 MAPT 2173/4885TP53 4123/4885RXFP1 4660/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MAPT 949/4885TP53 2849/4885RXFP1 4715/4885

“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.