SCHEMBL4679768

SCHEMBL4679768

COc1ccc(Cc2cc(CC(=O)C(=O)c3nn[nH]n3)c[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
XDH P47989 2/20 0.34
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL4676102 0.92 MAPK8 (0.41) MAPK8MAPK10KDM5AKDM5BPTGDR2
SCHEMBL4674362 0.88 DAO (0.34) PTGDR2CYP2C19GPR35
SCHEMBL4672089 0.86 XDH (0.40) LMNAXDH
SCHEMBL4676346 0.86 HRH3 (0.35)
SCHEMBL4673114 0.86 DAO (0.34) PTGDR2MAPTCXCR3
SCHEMBL4671144 0.85 CES1 (0.43) KDM5AKDM5B
SCHEMBL4677907 0.84 MAPK8 (0.43) MAPK8MAPK10KDM5AKDM5BPTGDR2
SCHEMBL4670950 0.84 HRH4 (0.34) MAPT
SCHEMBL4674803 0.84 KDM5A (0.40) KDM5AKDM5BLMNAMAPT
SCHEMBL4676684 0.81 MAPK8 (0.43) MAPK8MAPK10PTGDR2TAS2R14CYP2C8

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 4133/4885KDM5A 1534/4885

“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.