SCHEMBL4675486

SCHEMBL4675486

O=C(C=C(O)c1nc[nH]n1)c1oc(Cc2ccc(F)cc2)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SNCA P37840 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
POLB P06746 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
ENPP2 Q13822 1/20 0.30
RPA1 P27694 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
SCHEMBL4675925 0.90 L3MBTL1 (0.32) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL4676626 0.89 LMNA (0.33) L3MBTL1SMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL5899345 0.86 NR3C2 (0.32) NR3C2L3MBTL1LMNAMAPK1CASP3
SCHEMBL4677909 0.84 HCAR2 (0.34) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL4672862 0.84 KDM4E (0.35) NR3C2L3MBTL1LMNAMAPK1CASP3
SCHEMBL4670834 0.84 SLC16A3 (0.32) NR3C2L3MBTL1LMNAMAPK1CASP3
S-1360 SCHEMBL10070153 0.83 CYP1A2 (0.36) L3MBTL1SMN1; SMN2LMNAMAPK1CASP3
S-1360 SCHEMBL3221454 0.83 CYP1A2 (0.36) L3MBTL1SMN1; SMN2LMNAMAPK1CASP3
SCHEMBL4678531 0.83 NR3C2 (0.32) NR3C2L3MBTL1LMNAMAPK1CASP3
S-1360 SCHEMBL6853679 0.82 CYP1A2 (0.35) L3MBTL1SMN1; SMN2LMNAMAPK1CASP3

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 NR3C2 221/4885L3MBTL1 1170/4885SMN1; SMN2 4107/4885

“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.