SCHEMBL4673201

SCHEMBL4673201

Nc1ccc(Cc2cc(CC(=O)C(=O)c3nn[nH]n3)cs2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.33
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL4677484 0.91 CES1 (0.31) CES1NCEH1MAPK8MAPK10
SCHEMBL4676677 0.89 PTGER4 (0.34) LTB4RCES1NCEH1MAPK8MAPK10
SCHEMBL4674444 0.89 TDP1 (0.34) LTB4RCES1NCEH1MAPK8MAPK10
SCHEMBL4673888 0.89 LTB4R (0.44) LTB4RCES1NCEH1
SCHEMBL4675368 0.88 LTB4R (0.34) LTB4RCES1NCEH1
SCHEMBL4675489 0.87 XDH (0.39) LTB4RCES1NCEH1MAPK8MAPK10
SCHEMBL4673389 0.86 MAPK8 (0.45) MAPK8MAPK10
SCHEMBL4679005 0.83 CES1 (0.33) CES1NCEH1
SCHEMBL4674094 0.82 LTB4R (0.33) LTB4R
SCHEMBL4672521 0.82 FFAR2 (0.40) LTB4RCES1NCEH1MAPK8

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 LTB4R 1834/4885CES1 445/4885NCEH1 1046/4885

“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.