SCHEMBL4673377

SCHEMBL4673377

COc1ccccc1Oc1coc(C(=O)C=C(O)c2nc[nH]n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HTT P42858 4/20 0.35
MAPK1 P28482 2/20 0.34
PKM P14618 1/20 0.34
TTR P02766 1/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL4675073 0.88 RAB9A (0.37) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL4673353 0.87 ALDH1A1 (0.34) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL4671052 0.86 NR4A2 (0.33) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL4675372 0.86 LMNA (0.38) KMT2AMEN1POLBKDM4ELMNA
SCHEMBL4671462 0.85 MRGPRX4 (0.35) MAPTSMN1; SMN2LMNALPAR1LPAR5
SCHEMBL4671631 0.82 BRS3 (0.38) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL4672006 0.82 HTT (0.36) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL4672776 0.81 ALDH1A1 (0.38) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL4676406 0.81 HAO1 (0.34) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL4673894 0.80 RAB9A (0.40) KMT2ARAB9AL3MBTL1MAPTPOLB

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 597/4885MEN1 4663/4885RAB9A 2021/4885

“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.