SCHEMBL4671979

SCHEMBL4671979

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM5B Q9UGL1 1/20 0.38
SRD5A2 P31213 1/20 0.37
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
ASPH Q12797 2/20 0.33
KDM8 Q8N371 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RIOX2 Q8IUF8 1/20 0.33
EPHX2 P34913 1/20 0.32
SNCA P37840 1/20 0.32
NR3C2 P08235 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAOB P27338 1/20 0.32
PTPN1 P18031 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN6 P29350 1/20 0.31
PDPK1 O15530 1/20 0.31

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
SCHEMBL4673646 0.89 NR4A2 (0.38) KDM4ENR3C2FFAR4MAOB
SCHEMBL4673435 0.89 LMNA (0.36) KDM4EALDH1A1
SCHEMBL4676930 0.87 CYP1A2 (0.32) ALDH1A1
SCHEMBL4679147 0.87 PTGER4 (0.35) KDM5AKDM4CKDM5B
SCHEMBL4673317 0.86 SRD5A2 (0.33) SRD5A2
SCHEMBL4678209 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4678071 0.86 KDM4C (0.35) KDM4CKDM5BSNCA
SCHEMBL4674503 0.84 KMT2A (0.40) ALDH1A1MAOB
SCHEMBL4671753 0.84 KDM5A (0.39) KDM5AKDM5BPPARDPPARAASPH
SCHEMBL4671358 0.84 SRD5A2 (0.36) KDM5AKDM4CKDM5BSRD5A2PPARD

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 1534/4885KDM4C 785/4885KDM5B 1480/4885

“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.