SCHEMBL4675147

SCHEMBL4675147

COc1ccc(Cc2cc[nH]c2CC(=O)C(=O)c2nn[nH]n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
CYSLTR2 Q9NS75 6/20 0.37
CYSLTR1 Q9Y271 6/20 0.37
KEAP1 Q14145 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
MAPT P10636 1/20 0.36
MPO P05164 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35

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
SCHEMBL4677908 0.92 MAPK8 (0.41) MAPK8MAPK10CYSLTR2CYSLTR1KEAP1
SCHEMBL4672817 0.88 CYSLTR2 (0.32) CYSLTR2CYSLTR1MAPT
SCHEMBL4675211 0.86 XDH (0.40) CYSLTR2CYSLTR1
SCHEMBL4677575 0.86 CES1 (0.32) CYSLTR2CYSLTR1MPO
SCHEMBL4678905 0.86 MAPT (0.33) CYSLTR2CYSLTR1PTGDR2MAPTMPO
SCHEMBL4676664 0.85 CES1 (0.43)
SCHEMBL4676604 0.84 CES1 (0.32)
SCHEMBL4673752 0.84 POLB (0.36) MAPTMPO
SCHEMBL4676684 0.84 MAPK8 (0.43) MAPK8MAPK10CYSLTR2CYSLTR1KEAP1
SCHEMBL4671447 0.82 MAPK8 (0.44) MAPK8MAPK10CYSLTR2CYSLTR1KEAP1

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 4133/4885CYSLTR2 4603/4885

“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.