SCHEMBL4671773

SCHEMBL4671773

O=C(C=C(O)c1nn[nH]n1)c1cc(Cc2ccc(F)cc2)cs1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMEL1 Q495T6 3/20 0.32
CES1 P23141 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PIN1 Q13526 1/20 0.32
MME P08473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
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

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
SCHEMBL4676614 0.90 CES1 (0.41) MAPTNPSR1MMEL1CES1NCEH1
SCHEMBL4671730 0.89 MAPT (0.37) MAPTNPSR1MMEL1CES1NCEH1
SCHEMBL4677476 0.89 MAPT (0.35) MAPTNPSR1MMEL1CES1NCEH1
SCHEMBL4677639 0.89 HCAR2 (0.39) MAPTNPSR1CES1NCEH1PTGDR2
SCHEMBL4671549 0.88 MAPT (0.35) MAPTNPSR1CES1NCEH1
SCHEMBL4671210 0.88 MAPT (0.41) MAPTNPSR1CES1NCEH1LMNA
SCHEMBL4675339 0.87 MAPK8 (0.39) MAPTNPSR1PTGDR2LMNA
SCHEMBL4673446 0.85 CES1 (0.35) MAPTNPSR1MMEL1CES1NCEH1
SCHEMBL4673249 0.83 LMNA (0.35) MAPTNPSR1LMNAMAPK1CASP3
SCHEMBL4674439 0.82 PTGDR2 (0.33) MMEL1CES1NCEH1PTGDR2PIN1

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 MAPT 205/4885NPSR1 937/4885MMEL1 1144/4885

“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.