SCHEMBL4673398

SCHEMBL4673398

O=C(C=C(O)c1nc[nH]n1)c1ccsc1Cc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.39
MAPK8 P45983 1/20 0.37
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
NR4A2 P43354 2/20 0.34
NR3C2 P08235 1/20 0.34
BRS3 P32247 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAOB P27338 1/20 0.33
PARP10 Q53GL7 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
SCD5 Q86SK9 1/20 0.33
SNCA P37840 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
SCHEMBL4672599 0.90 PTPN1 (0.34) HCAR2MAPK8LMNA
SCHEMBL4677101 0.89 ALDH1A1 (0.36) MAPK8LMNA
SCHEMBL4672570 0.85 HCAR2 (0.39) HCAR2ADORA2AADORA2BNR4A2NR3C2
SCHEMBL4671226 0.84 HCAR2 (0.39) HCAR2MAPK8ADORA2AADORA2BLMNA
SCHEMBL4673355 0.83 MAPT (0.31)
SCHEMBL4675771 0.83 NPC1 (0.35) MAPK8LMNABRS3MAOBPARP10
SCHEMBL4674235 0.82 NPC1 (0.30) LMNA
SCHEMBL4675797 0.82 ALDH1A1 (0.36) MAPK8POLB
SCHEMBL4674104 0.82 MMP1 (0.42) HCAR2LMNASNCA
SCHEMBL4671734 0.82 HCAR2 (0.39) HCAR2NR4A2NR3C2BRS3KDM5A

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 HCAR2 276/4885MAPK8 2178/4885ADORA2A 1111/4885

“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.