SCHEMBL4672976

SCHEMBL4672976

O=C(C=C(O)c1nc[nH]n1)c1ccoc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5B Q9UGL1 1/20 0.37
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
SRD5A2 P31213 1/20 0.34
NR3C2 P08235 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RIOX2 Q8IUF8 1/20 0.32
TP53 P04637 1/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 2/20 0.32
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FTO Q9C0B1 1/20 0.31
PTPN1 P18031 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
SCHEMBL4672977 0.89 NR3C2 (0.39) NR3C2GPR52FFAR1
SCHEMBL4671946 0.89 TP53 (0.33) NR3C2GPR52KDM4ETP53ALDH1A1
SCHEMBL4671571 0.88 TP53 (0.44) SRD5A2NR3C2KDM4ETP53
SCHEMBL4673027 0.88 TP53 (0.34) TP53
SCHEMBL4677650 0.87 TP53 (0.35) KDM5AKDM4CKDM5BTP53ALDH1A1
SCHEMBL4675254 0.87 KDM4C (0.34) KDM5AKDM4CKDM5BTP53
SCHEMBL4672236 0.87 TP53 (0.33) TP53
SCHEMBL4673937 0.85 TP53 (0.39) KDM5AKDM5BASPHKDM8NR3C2
SCHEMBL4673482 0.85 KMT2A (0.36) TP53ALDH1A1
SCHEMBL4673663 0.84 KDM5A (0.35) KDM5AKDM4CKDM5BASPHKDM8

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.