SCHEMBL4672869

SCHEMBL4672869

O=C(Cc1ccoc1Cc1cccc(F)c1)C(=O)c1nn[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.39
HCAR2 Q8TDS4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
MPO P05164 2/20 0.36
PIN1 Q13526 1/20 0.35
THRB P10828 2/20 0.33
CES1 P23141 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.32
NR3C2 P08235 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4675013 0.92 FFAR2 (0.39) FFAR2HCAR2PTGDR2MPOPIN1
SCHEMBL4675328 0.87 TDP1 (0.32) PTGDR2MPOPIN1CES1NCEH1
SCHEMBL4671189 0.87 CES1 (0.42) HCAR2CES1NCEH1
SCHEMBL5899394 0.84 HCAR2 (0.38) HCAR2MPOTHRBPOLBLMNA
SCHEMBL4674931 0.83 FFAR2 (0.40) FFAR2HCAR2PTGDR2MPOPIN1
SCHEMBL4672911 0.83 FFAR2 (0.40) FFAR2HCAR2PTGDR2MPOPIN1
SCHEMBL4671882 0.83 FFAR2 (0.41) FFAR2HCAR2PTGDR2MPOPIN1
SCHEMBL4675795 0.82 PTGDR2 (0.34) PTGDR2MPOCES1NCEH1MAPT
SCHEMBL4675550 0.82 CES1 (0.32) FFAR2CES1NCEH1LMNATP53
SCHEMBL4674853 0.81 TP53 (0.32) CES1NCEH1TP53

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 FFAR2 2618/4885HCAR2 276/4885PTGDR2 4591/4885

“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.