SCHEMBL4678531

SCHEMBL4678531

O=C(C=C(O)c1nc[nH]n1)c1cc(Cl)c(Cc2ccc(F)cc2)o1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
RPA1 P27694 1/20 0.31
PPARA Q07869 1/20 0.30
SLC16A3 O15427 1/20 0.30

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
SCHEMBL4673118 0.90 LMNA (0.33) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4675299 0.89 PIM1 (0.33) LMNAMAPK1L3MBTL1KDM4EALDH1A1
SCHEMBL14259557 0.88 LMNA (0.34) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4676308 0.86 SNCA (0.33) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4674193 0.85 NR3C2 (0.32) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4671846 0.84 LMNA (0.35) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4676428 0.83 MAPT (0.33) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4674363 0.83 LMNA (0.31) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4675486 0.83 NR3C2 (0.32) NR3C2LMNAMAPK1CASP3SENP7
SCHEMBL4673080 0.82 SLC16A3 (0.32) NR3C2LMNAMAPK1CASP3SENP7

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 NR3C2 221/4885LMNA 659/4885MAPK1 2560/4885

“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.