SCHEMBL4675834

SCHEMBL4675834

CC(=O)c1ccc(Cc2cocc2C(=O)C=C(O)c2nn[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
TSHR P16473 1/20 0.32
CYSLTR2 Q9NS75 6/20 0.32
CYSLTR1 Q9Y271 6/20 0.32
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
AGTR1 P30556 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
SCHEMBL4676777 0.90 CES1 (0.32) CES1NCEH1
SCHEMBL4676546 0.88 CES1 (0.41) ERCC5FEN1CES1NCEH1
SCHEMBL4675476 0.88 CES1 (0.32) CES1NCEH1
SCHEMBL4670998 0.88 MMEL1 (0.32) CES1NCEH1
SCHEMBL4674710 0.87 CYSLTR2 (0.35) XDHLMNAERCC5FEN1TSHR
SCHEMBL4675563 0.86 CES1 (0.33) CES1NCEH1
SCHEMBL5899368 0.84 KMT2A (0.36) KMT2ALMNATSHR
SCHEMBL4676641 0.84 XDH (0.38) XDHKMT2ALMNAERCC5FEN1
SCHEMBL4671522 0.82 LMNA (0.39) XDHKMT2ALMNAERCC5FEN1
SCHEMBL4677053 0.82 XDH (0.38) XDHKMT2ALMNAERCC5FEN1

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 XDH 112/4885KMT2A 597/4885LMNA 659/4885

“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.