SCHEMBL4674569

SCHEMBL4674569

O=C(C=C(O)c1nn[nH]n1)c1cc(COc2ccccc2)n(Cc2ccncc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAP4K4 O95819 1/20 0.34
ALKBH1 Q13686 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 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
SCHEMBL4678417 0.88 USP2 (0.38) ERCC5FEN1MAP4K4ALDH1A1USP2
SCHEMBL4672131 0.88 ERCC5 (0.36) ERCC5FEN1HDAC3HDAC4HDAC1
SCHEMBL4677748 0.88 ALKBH1 (0.35) ALKBH1ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL5899374 0.87 ERCC5 (0.37) ERCC5FEN1HDAC3HDAC4HDAC1
SCHEMBL4675042 0.82 CCNC (0.39) ERCC5FEN1MAP4K4ALDH1A1USP2
SCHEMBL4672269 0.81 CCNC (0.36) ERCC5FEN1HDAC3HDAC4HDAC1
SCHEMBL4672046 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4680101 0.79 CCNC (0.39) ERCC5FEN1MAP4K4USP2MAPK10
SCHEMBL4676863 0.79 KDM4E (0.34) ERCC5FEN1HDAC3HDAC4HDAC1
SCHEMBL4677380 0.78 CCNC (0.37) ERCC5FEN1HDAC3HDAC4HDAC1

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
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 ERCC5 2718/4885FEN1 611/4885HDAC3 175/4885

“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.