SCHEMBL4670829

SCHEMBL4670829

CC(=O)c1ccc(Sc2ccc(C(=O)C=C(O)c3nc[nH]n3)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 2/20 0.33
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PTPN11 Q06124 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
SCHEMBL4675827 0.89 MAPT (0.38) LMNAHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL4672384 0.88 ALDH1A1 (0.41) LMNAHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL4672389 0.87 PTPN11 (0.31) MAPTMAPK1KDM4EPTPN11
SCHEMBL4674442 0.87 SMN1; SMN2 (0.40) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL4673231 0.87 MAPT (0.31) LMNAMAPTMAPK1KDM4E
SCHEMBL4673971 0.87 MAPT (0.31) LMNAMAPTMAPK1KDM4E
SCHEMBL4673374 0.85 MAOA (0.34) ALDH1A1ALOX5KDM4E
SCHEMBL4675956 0.83 KMT2A (0.38) LMNAL3MBTL1ALDH1A1MAPTHTT
SCHEMBL4670922 0.82 HPGD (0.39) LMNAHPGDL3MBTL1ALDH1A1ALOX5
SCHEMBL4671161 0.82 HPGD (0.36) LMNAHPGDL3MBTL1ALDH1A1ALOX5

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 LMNA 659/4885HPGD 2816/4885L3MBTL1 1170/4885

“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.