SCHEMBL4677909

SCHEMBL4677909

O=C(C=C(O)c1nc[nH]n1)c1oc(Cl)cc1Cc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
CNR2 P34972 3/20 0.32
GPR55 Q9Y2T6 2/20 0.32
CNR1 P21554 1/20 0.32
MAPT P10636 1/20 0.32
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
L3MBTL1 Q9Y468 1/20 0.31
SNCA P37840 1/20 0.31
MAOA P21397 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
SCHEMBL5899393 0.90 MAPT (0.33) HCAR2CNR2GPR55CNR1MAPT
SCHEMBL4674504 0.89 LMNA (0.31) LMNASNCA
SCHEMBL4676308 0.85 SNCA (0.33) HCAR2CNR2GPR55CNR1MAPT
SCHEMBL4675486 0.84 NR3C2 (0.32) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4671489 0.84 LMNA (0.31) CNR2LMNAMAPK1CASP3SENP7
SCHEMBL4674193 0.84 NR3C2 (0.32) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL5899409 0.84 KDM4E (0.35) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL4672001 0.82 LMNA (0.35) MAPTLMNAMAPK1CASP3SENP7
SCHEMBL4676428 0.82 MAPT (0.33) HCAR2CNR2GPR55CNR1MAPT
SCHEMBL4675925 0.82 L3MBTL1 (0.32) MAPTLMNAMAPK1CASP3SENP7

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 HCAR2 276/4885CNR2 1416/4885GPR55 3090/4885

“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.