SCHEMBL4675864

SCHEMBL4675864

CC(=O)c1ccc(Cc2coc(C(=O)C=C(O)c3nn[nH]n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
XDH P47989 1/20 0.38
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
TSHR P16473 1/20 0.33
CES1 P23141 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
TBXAS1 P24557 2/20 0.31
CREBBP Q92793 1/20 0.31
MMEL1 Q495T6 2/20 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
SCHEMBL4675647 0.89 PTGER4 (0.34) CES1NCEH1MMEL1
SCHEMBL4676991 0.88 CES1 (0.42) ERCC5FEN1CES1NCEH1MMEL1
SCHEMBL4676892 0.87 CES1 (0.33) TSHRCES1NCEH1MMEL1
SCHEMBL4679601 0.87 MMEL1 (0.33) LMNACES1NCEH1MMEL1
SCHEMBL4678110 0.87 KDM5A (0.36) XDHERCC5FEN1
SCHEMBL4675415 0.86 CES1 (0.33) LMNAERCC5FEN1TSHRCES1
SCHEMBL4674370 0.84 XDH (0.38) KMT2ALMNAXDHERCC5FEN1
SCHEMBL4674503 0.83 KMT2A (0.40) KMT2ALMNATSHRTBXAS1
SCHEMBL4673268 0.83 XDH (0.40) KMT2ALMNAXDHERCC5FEN1
SCHEMBL4675834 0.80 XDH (0.38) KMT2ALMNAXDHERCC5FEN1

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 KMT2A 597/4885LMNA 659/4885XDH 112/4885

“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.