SCHEMBL4675906

SCHEMBL4675906

COc1ccccc1Sc1ccoc1CC(=O)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.36
IDO1 P14902 4/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ITGB2 P05107 5/20 0.33
ICAM1 P05362 5/20 0.33
ITGAL P20701 5/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 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
SCHEMBL4673839 0.86 HAO1 (0.36) HAO1MTNR1AMTNR1BITGB2ICAM1
SCHEMBL4670526 0.85 PKM (0.33) HAO1LMNAHSD17B10POLBPTGER3
SCHEMBL4674219 0.84 KDM4E (0.32) ITGB2ICAM1ITGALLMNA
SCHEMBL4679521 0.82 MMP12 (0.37) HAO1MTNR1AMTNR1BICAM1PTGER3
SCHEMBL4670771 0.82 LMNA (0.37) MTNR1AMTNR1BHTTLMNAHSD17B10
SCHEMBL4672580 0.82 HAO1 (0.36) HAO1IDO1MTNR1AMTNR1BITGB2
SCHEMBL4676458 0.81 MTNR1A (0.36) IDO1MTNR1AMTNR1BTUBB4ATUBB
SCHEMBL4672932 0.80 NPC1 (0.36) MTNR1AMTNR1BHTTLMNAPOLB
SCHEMBL4678891 0.80 PTPN11 (0.40) HAO1MTNR1AMTNR1BTUBB4ATUBB
SCHEMBL4673113 0.80 TP53 (0.34) IDO1ICAM1HTTLMNAHSD17B10

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 HAO1 600/4885IDO1 34/4885MTNR1A 273/4885

“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.