SCHEMBL5545301

SCHEMBL5545301

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)Nc2ccc(F)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 6/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN1 Q05586 3/20 0.41
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37

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 0.93 GRIN2B (0.45) KDM4EMAPTGRIN2BGRIN1TP53
SCHEMBL5547133 0.93 L3MBTL1 (0.41) KDM4EGRIN2BGRIN1TP53L3MBTL1
SCHEMBL5541078 0.92 KDM4E (0.40) KDM4EGRIN2BL3MBTL1ALDH1A1MEN1
SCHEMBL5545763 0.91 L3MBTL1 (0.42) KDM4EGRIN2BGRIN1TP53L3MBTL1
SCHEMBL5543265 0.90 GRIN2B (0.43) KDM4EMAPTGRIN2BGRIN1TP53
SCHEMBL4584216 0.90 L3MBTL1 (0.44) KDM4EGRIN2BGRIN1L3MBTL1SMN1; SMN2
SCHEMBL5546938 0.90 CNR2 (0.40) KDM4EGRIN2BGRIN1TP53L3MBTL1
SCHEMBL5547226 0.90 L3MBTL1 (0.41) KDM4EGRIN2BGRIN1L3MBTL1MEN1
SCHEMBL5547220 0.89 GRIN2B (0.44) KDM4EMAPTGRIN2BGRIN1TP53
SCHEMBL5545538 0.89 L3MBTL1 (0.41) KDM4EMAPTGRIN2BGRIN1L3MBTL1

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 KDM4E 1268/4885MAPT 2173/4885GRIN2B 1400/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885MAPT 949/4885GRIN2B 4036/4885

“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.