SCHEMBL4679657

SCHEMBL4679657

O=C(Cc1ccc(Cc2cccc(F)c2)[nH]1)C(=O)c1nc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
DAO P14920 2/20 0.38
BRS3 P32247 1/20 0.38
MAOB P27338 6/20 0.37
MAOA P21397 2/20 0.37
NR4A2 P43354 2/20 0.37
PARP10 Q53GL7 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL4679207 0.86 LMNA (0.36) DAOBRS3MAOBMAOANR4A2
SCHEMBL4679269 0.86 HCAR2 (0.39) HCAR2DAOBRS3TAAR1
SCHEMBL4676724 0.85 HCAR2 (0.44) HCAR2DAOBRS3NR4A2TAAR1
SCHEMBL4672224 0.85 HCAR2 (0.41) HCAR2DAONR4A2TAAR1
SCHEMBL4674902 0.82 HCAR2 (0.46) HCAR2DAOBRS3
SCHEMBL4675729 0.82 HCAR2 (0.40) HCAR2MAOBMAOANR4A2TAAR1
SCHEMBL4671810 0.81 HCAR2 (0.42) HCAR2MAOBMAOANR4A2PARP10
SCHEMBL4674269 0.81 HCAR2 (0.40) HCAR2MAOBNR4A2PARP10TAAR1
SCHEMBL5899355 0.81 HCAR2 (0.39) HCAR2DAONR4A2TAAR1NR3C2
SCHEMBL4671739 0.81 HCAR2 (0.39) HCAR2NR4A2TAAR1NR3C2

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 276/4885DAO 661/4885BRS3 3289/4885

“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.