SCHEMBL4673736

SCHEMBL4673736

COc1ccc(Cc2ccc(CC(=O)C(=O)c3nn[nH]n3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
TP53 P04637 1/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MPI P34949 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
DNMT1 P26358 1/20 0.37
PTPN7 P35236 1/20 0.37
MCL1 Q07820 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL4674672 0.87 ALDH1A1 (0.35) MAPK8MAPK10ALDH1A1LMNAMAPT
SCHEMBL4671700 0.85 TSHR (0.43) MAPK8MAPK10LMNAKMT2AXDH
SCHEMBL4675642 0.85 ALOX5 (0.36) TP53ALDH1A1LMNAPOLBKDM4E
SCHEMBL4679005 0.85 CES1 (0.33) ALDH1A1
SCHEMBL4680407 0.85 CES1 (0.44) ALDH1A1POLBAPOBEC3GMCL1ESR2
SCHEMBL4675344 0.84 MAPK8 (0.45) MAPK8MAPK10TP53ALDH1A1LMNA
SCHEMBL4673389 0.84 MAPK8 (0.45) MAPK8MAPK10TP53ALDH1A1LMNA
SCHEMBL4677893 0.84 CES1 (0.33)
SCHEMBL4672931 0.83 POLB (0.41) TP53ALDH1A1LMNAMAPTPOLB
SCHEMBL4675749 0.82 ALDH1A1 (0.42) MAPK8MAPK10TP53ALDH1A1LMNA

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 4133/4885TP53 999/4885

“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.