SCHEMBL4673389

SCHEMBL4673389

COc1ccc(Cc2cc(CC(=O)C(=O)c3nn[nH]n3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.45
MAPK10 P53779 2/20 0.45
SLC5A2 P31639 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
DNMT1 P26358 1/20 0.36
PTPN7 P35236 1/20 0.36
MCL1 Q07820 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL4675344 0.92 MAPK8 (0.45) MAPK8MAPK10SLC5A2LMNAMAPT
SCHEMBL4676677 0.88 PTGER4 (0.34) MAPK8MAPK10MAPTPTGDR2POLB
SCHEMBL4675489 0.86 XDH (0.39) MAPK8MAPK10LMNAALDH1A1KMT2A
SCHEMBL4673201 0.86 LTB4R (0.33) MAPK8MAPK10
SCHEMBL4674444 0.86 TDP1 (0.34) MAPK8MAPK10LMNAMAPTPTGDR2
SCHEMBL4673888 0.86 LTB4R (0.44) CYP1A2
SCHEMBL4675368 0.85 LTB4R (0.34) PARP1
SCHEMBL4673106 0.84 SLC5A2 (0.40) MAPK8MAPK10SLC5A2LMNAMAPT
SCHEMBL4673736 0.84 MAPK8 (0.44) MAPK8MAPK10LMNAMAPTPOLB
SCHEMBL4673593 0.81 MAPK8 (0.40) MAPK8MAPK10LMNAMAPTPTGDR2

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 MAPK8 2178/4885MAPK10 4133/4885SLC5A2 1276/4885

“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.