SCHEMBL4679032

SCHEMBL4679032

O=C(Cc1sccc1Cc1ccncc1)C(=O)c1nn[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.32
MAPK10 P53779 2/20 0.32
CES1 P23141 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
FFAR2 O15552 1/20 0.31
CYP17A1 P05093 1/20 0.31
MAPT P10636 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
SCHEMBL4674274 0.91 MAPK8 (0.32) MAPK8MAPK10CES1NCEH1FFAR2
SCHEMBL4676942 0.90 CES1 (0.42) MAPK8MAPK10CES1NCEH1
SCHEMBL4677258 0.88 MAPK8 (0.34) MAPK8MAPK10CES1NCEH1
SCHEMBL4670776 0.88 MAPK8 (0.36) MAPK8MAPK10CES1NCEH1
SCHEMBL4676982 0.88 MAPK8 (0.34) MAPK8MAPK10CES1NCEH1MAPT
SCHEMBL4672283 0.86 XDH (0.39) MAPK8MAPK10CES1NCEH1
SCHEMBL4676362 0.85 MAPK8 (0.49) MAPK8MAPK10MAPT
SCHEMBL4673101 0.82 FFAR2 (0.39) MAPK8CES1NCEH1FFAR2
SCHEMBL4676156 0.82 MAPK8 (0.32) MAPK8MAPK10CYP17A1MAPT
SCHEMBL4676174 0.81 CES1 (0.33) CES1NCEH1FFAR2CYP17A1

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 MAPK8 2178/4885MAPK10 4133/4885CES1 445/4885

“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.