SCHEMBL4672862

SCHEMBL4672862

O=C(C=C(O)c1nc[nH]n1)c1oc(Cc2ccc(F)cc2)cc1CCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRS3 P32247 1/20 0.33
PARP1 P09874 1/20 0.33
NR3C2 P08235 1/20 0.32
DAO P14920 1/20 0.32
MAOA P21397 1/20 0.32
PLA2G4A P47712 1/20 0.32
PLAAT3 P53816 1/20 0.31
PLAAT5 Q96KN8 1/20 0.31
PLAAT2 Q9NWW9 1/20 0.31
PLAAT4 Q9UL19 1/20 0.31
KDM5A P29375 2/20 0.31
KDM4C Q9H3R0 2/20 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
SCHEMBL5899409 0.93 KDM4E (0.35) KDM4EALDH1A1LMNAMAPK1CASP3
SCHEMBL4674148 0.90 ABCB1 (0.35) KDM4EMAPK1NR3C2RAB9A
SCHEMBL4675925 0.86 L3MBTL1 (0.32) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL5899347 0.85 PARP1 (0.36) KDM4EALDH1A1LMNAMAPK1CASP3
SCHEMBL4671846 0.84 LMNA (0.35) KDM4EALDH1A1LMNAMAPK1CASP3
SCHEMBL4675486 0.84 NR3C2 (0.32) KDM4EALDH1A1LMNAMAPK1CASP3
SCHEMBL4680185 0.84 LMNA (0.35) KDM4EALDH1A1LMNAMAPK1CASP3
SCHEMBL4671337 0.83 LMNA (0.36) KDM4EALDH1A1LMNAMAPK1CASP3
SCHEMBL4673309 0.83 CYP19A1 (0.35) KDM4EALDH1A1LMNAMAPK1NR3C2
SCHEMBL4675675 0.83 LMNA (0.35) KDM4EALDH1A1LMNAMAPK1CASP3

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 KDM4E 947/4885ALDH1A1 980/4885LMNA 659/4885

“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.