SCHEMBL4677632

SCHEMBL4677632

O=C(C=C(O)c1nc[nH]n1)c1cocc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.37
NR3C2 P08235 1/20 0.37
MPO P05164 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SLC1A5 Q15758 1/20 0.35
GPR52 Q9Y2T5 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCD O00767 2/20 0.35
PTGER1 P34995 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL5899356 0.89 KDM5A (0.35) NR3C2FFAR1HDAC3HDAC1HDAC2
SCHEMBL5899354 0.87 HCAR2 (0.39) NR4A2NR3C2MPOGPR52
SCHEMBL4677808 0.87 HRH1 (0.32)
SCHEMBL4672373 0.85 HCAR2 (0.39) NR4A2MPOMAPTPTGER1
SCHEMBL4676237 0.84 NR3C2 (0.38) NR4A2NR3C2MPOAURKARPS6KB1
SCHEMBL4675264 0.84 KDM4C (0.41) NR3C2GPR52HTT
SCHEMBL4673646 0.84 NR4A2 (0.38) NR4A2NR3C2FFAR1FFAR4GPR52
SCHEMBL4672977 0.83 NR3C2 (0.39) NR4A2NR3C2AURKARPS6KB1AURKB
SCHEMBL4673188 0.83 AR (0.36) NR3C2FFAR1FFAR4GPR52HDAC3
SCHEMBL4676649 0.82 NR4A2 (0.39) NR4A2NR3C2FFAR1FFAR4GPR52

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 NR4A2 454/4885NR3C2 221/4885MPO 4231/4885

“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.