SCHEMBL4670595

SCHEMBL4670595

CC(=O)c1ccc(Oc2ccoc2CC(=O)C(=O)c2nc[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOB P27338 4/20 0.33
LMNA P02545 4/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
IKBKB O14920 1/20 0.31

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
SCHEMBL4671919 0.89 KMT2A (0.38) MAPTRAB9AGAASMN1; SMN2LMNA
SCHEMBL4673428 0.87 MEN1 (0.32) MAPTL3MBTL1LMNANPSR1KMT2A
SCHEMBL4675210 0.87 PARP10 (0.31) KMT2A
SCHEMBL4673614 0.87 L3MBTL1 (0.34) MAPTHPGDL3MBTL1GAASMN1; SMN2
SCHEMBL4673097 0.84 ALDH1A1 (0.37) MAOBLMNAALDH1A1
SCHEMBL4676203 0.83 MAPT (0.38) MAPTHPGDRAB9AL3MBTL1GAA
SCHEMBL4672943 0.81 KMT2A (0.42) MAPTRAB9AL3MBTL1GAAKDM4E
SCHEMBL4677331 0.81 KMT2A (0.38) MAOBLMNAKMT2A
SCHEMBL4671750 0.81 MAOB (0.39) MAPTHPGDRAB9AL3MBTL1GAA
SCHEMBL4672829 0.80 HPGD (0.37) HPGDL3MBTL1HRH3LMNAALDH1A1

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 MAPT 205/4885HPGD 2816/4885RAB9A 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.