SCHEMBL5538481

SCHEMBL5538481

CCc1c(O)c2ncc(Cc3ccccc3)cc2n(Cc2ccc(S(C)(=O)=O)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.44
ERCC5 P28715 2/20 0.42
FEN1 P39748 1/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SRC P12931 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
PTGS2 P35354 2/20 0.38
MAPK8 P45983 2/20 0.38
PTGS1 P23219 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL6062479 0.87 FEN1 (0.51) EGLN1ERCC5FEN1PTGDR2MEN1
SCHEMBL5545344 0.84 KDM4E (0.46) EGLN1ERCC5FEN1PTGDR2
SCHEMBL16999961 0.82 EGLN1 (0.48) EGLN1ERCC5FEN1MEN1KMT2A
SCHEMBL5545820 0.80 CNR1 (0.49) EGLN1ERCC5FEN1
SCHEMBL5546934 0.80 EGLN1 (0.49) EGLN1ERCC5FEN1MEN1KMT2A
SCHEMBL5545819 0.80 CNR2 (0.52) EGLN1ERCC5FEN1PPARG
SCHEMBL5545229 0.79 LMNA (0.49) EGLN1MEN1KMT2A
SCHEMBL5547058 0.78 KDM4E (0.49) EGLN1MEN1KMT2A
SCHEMBL5538456 0.77 RXFP1 (0.47) EGLN1MEN1KMT2A
SCHEMBL5545321 0.76 MAPT (0.44) ERCC5FEN1PTGDR2PTGS2

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 2 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 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 (1 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 EGLN1 3142/4885ERCC5 2132/4885FEN1 821/4885

“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.