SCHEMBL4670862

SCHEMBL4670862

Nc1ccc(Cn2cc(C(=O)O)cc2C(=O)C=C(O)c2nn[nH]n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL5 Q9Y5K5 2/20 0.32
UCHL1 P09936 1/20 0.32
UCHL3 P15374 1/20 0.32
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK10 P53779 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAP4K4 O95819 1/20 0.31
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL4674207 0.93 CES1 (0.31) CES1NCEH1MAP4K4
SCHEMBL4672844 0.90 P2RY14 (0.35)
SCHEMBL4671402 0.90 CA12 (0.42) CA12CA1CA2CA9
SCHEMBL4675665 0.89 XDH (0.37) ALDH1A1MAPK10ERCC5FEN1
SCHEMBL4677380 0.89 CCNC (0.37) CES1NCEH1MAPK10MAP4K4ERCC5
SCHEMBL4677658 0.87 EGLN1 (0.39) MAPK10
SCHEMBL4677334 0.86 CES1 (0.40) CES1NCEH1CCNCCDK8
SCHEMBL4671177 0.85 CA12 (0.43) CES1NCEH1CA12CA1CA2
SCHEMBL4671944 0.84 ALDH1A1 (0.33) ALDH1A1MAPK10FNTAFNTBPGGT1B
SCHEMBL4677008 0.83 KDM4C (0.40) ALDH1A1

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 UCHL5 1653/4885UCHL1 1712/4885UCHL3 1402/4885

“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.