SCHEMBL5545344

SCHEMBL5545344

CCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(Cc2ccc(S(C)(=O)=O)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.43
ERCC5 P28715 2/20 0.42
FEN1 P39748 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
PLCG1 P19174 1/20 0.42
PAX8 Q06710 1/20 0.42
ALOX5 P09917 1/20 0.42
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL5545321 0.92 MAPT (0.44) KDM4EALDH1A1ERCC5FEN1PTGDR2
SCHEMBL6062479 0.89 FEN1 (0.51) ERCC5FEN1EGLN1PTGDR2
SCHEMBL5543140 0.87 AR (0.51) KDM4EALDH1A1PTGDR2LMNAGAA
SCHEMBL16999961 0.85 EGLN1 (0.48) KDM4EALDH1A1ERCC5FEN1EGLN1
SCHEMBL5538481 0.84 EGLN1 (0.44) ERCC5FEN1EGLN1PTGDR2
SCHEMBL5546934 0.84 EGLN1 (0.49) KDM4EERCC5FEN1EGLN1LMNA
SCHEMBL5545820 0.83 CNR1 (0.49) ERCC5FEN1EGLN1
SCHEMBL5538649 0.82 KDM4E (0.46) KDM4EALDH1A1ERCC5FEN1EGLN1
SCHEMBL5545819 0.82 CNR2 (0.52) ERCC5FEN1EGLN1GAA
SCHEMBL5540768 0.81 KDM4E (0.49) KDM4EALDH1A1FEN1LMNAGAA

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 15 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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
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
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP 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
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US 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 KDM4E 1268/4885ALDH1A1 3812/4885ERCC5 2132/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885ALDH1A1 3073/4885ERCC5 1182/4885

“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.