SCHEMBL4674748

SCHEMBL4674748

O=C(Cc1ccc(Cc2cccc(F)c2)o1)C(=O)c1nn[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
FFAR2 O15552 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
THRB P10828 2/20 0.37
PIN1 Q13526 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
CES1 P23141 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
HTR2B P41595 1/20 0.34
MAPT P10636 1/20 0.34
NR3C2 P08235 1/20 0.34
ACHE P22303 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
SCHEMBL3228436 0.86 CXCR3 (0.34) PTGDR2PIN1POLBTP53CES1
SCHEMBL4671114 0.86 CES1 (0.44) HCAR2CES1NCEH1
SCHEMBL4675471 0.85 FFAR2 (0.40) HCAR2FFAR2PTGDR2THRBPIN1
SCHEMBL4672624 0.85 FFAR2 (0.40) HCAR2FFAR2PTGDR2THRBPIN1
SCHEMBL4676616 0.83 FFAR2 (0.41) HCAR2FFAR2PTGDR2THRBPIN1
SCHEMBL4671810 0.83 HCAR2 (0.42) HCAR2THRBPOLBLMNAMAPT
SCHEMBL4672911 0.82 FFAR2 (0.40) HCAR2FFAR2PTGDR2THRBPIN1
SCHEMBL4674902 0.81 HCAR2 (0.46) HCAR2FFAR2PTGDR2PIN1CES1
SCHEMBL4671882 0.81 FFAR2 (0.41) HCAR2FFAR2PTGDR2PIN1CES1
SCHEMBL4677642 0.81 FFAR2 (0.40) HCAR2FFAR2PTGDR2THRBPIN1

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 HCAR2 276/4885FFAR2 2618/4885PTGDR2 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.