SCHEMBL4677329

SCHEMBL4677329

COc1ccc(Cc2cn[nH]c2C(=O)C=C(O)c2nn[nH]n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MPO P05164 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
FTO Q9C0B1 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KEAP1 Q14145 1/20 0.34
XDH P47989 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL4676217 0.89 CES1 (0.33)
SCHEMBL4675668 0.87 XDH (0.38) ERCC5FEN1CYSLTR2CYSLTR1XDH
SCHEMBL4674546 0.86 CES1 (0.33)
SCHEMBL4678094 0.86 MAPT (0.34) MPOPTGDR2
SCHEMBL4673326 0.85 CES1 (0.33) ERCC5FEN1
SCHEMBL4676579 0.84 POLB (0.35) ALDH1A1FTOL3MBTL1
SCHEMBL4676355 0.82 MAPK8 (0.44) MAPK8MAPK10ERCC5FEN1ALDH1A1
SCHEMBL4672617 0.81 ERCC5 (0.36) MAPK8MAPK10ERCC5FEN1CYSLTR2
SCHEMBL4671442 0.81 MAPK8 (0.37) MAPK8MAPK10ERCC5FEN1CYSLTR2
SCHEMBL4674710 0.81 CYSLTR2 (0.35) MAPK8MAPK10ERCC5FEN1CYSLTR2

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
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 MAPK8 2178/4885MAPK10 4133/4885ERCC5 2718/4885

“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.