SCHEMBL4673640

SCHEMBL4673640

COc1ccc(Cc2ccc(CC(=O)C(=O)c3nc[nH]n3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
POLB P06746 1/20 0.38
BRS3 P32247 1/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
HTT P42858 1/20 0.37
VNN1 O95497 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4671320 0.89 BRS3 (0.34) KDM5AKDM5BBRS3ALDH1A1SMN1; SMN2
SCHEMBL4672702 0.87 KMT2A (0.41) POLBHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4679207 0.87 LMNA (0.36) BRS3SMN1; SMN2LMNA
SCHEMBL4672268 0.87 HRH3 (0.37) ALDH1A1
SCHEMBL4679269 0.86 HCAR2 (0.39) KDM5AKDM5BBRS3LMNA
SCHEMBL4676263 0.85 HRH4 (0.36) KDM5AKDM5BPOLBALDH1A1SMN1; SMN2
SCHEMBL4674803 0.84 KDM5A (0.40) KDM5AKDM5BPOLBSAE1UBA2
SCHEMBL4673183 0.84 POLB (0.38) KDM5AKDM5BPOLBSAE1UBA2
SCHEMBL4672663 0.82 KDM5A (0.37) KDM5AKDM5BPOLBSAE1UBA2
SCHEMBL4677907 0.82 MAPK8 (0.43) KDM5AKDM5BSAE1UBA2HTT

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 KDM5A 1534/4885KDM5B 1480/4885POLB 58/4885

“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.