SCHEMBL4671086

SCHEMBL4671086

O=C(C=C(O)c1nc[nH]n1)c1ccc(Oc2ccc(Cl)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
P2RX3 P56373 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDH1 P12830 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
MAPK1 P28482 1/20 0.32
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
NR4A2 P43354 1/20 0.32
S1PR5 Q9H228 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4676006 0.90 NPSR1 (0.37) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4678199 0.89 MAPT (0.38) MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4671638 0.89 MAPT (0.34) MAPTALDH1A1
SCHEMBL4678744 0.89 ALOX5 (0.39) MAPTALDH1A1MAPK1LTA4HEPHX2
SCHEMBL4677855 0.87 ALDH1A1 (0.43) MAPTALDH1A1NPSR1MAPK1KDM4E
SCHEMBL4680223 0.87 MAPT (0.38) MAPTALDH1A1SMN1; SMN2
SCHEMBL4675135 0.86 LTA4H (0.35) ALDH1A1SMN1; SMN2LTA4HEPHX2
SCHEMBL4675045 0.83 HPGD (0.34) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4679243 0.83 CDH1 (0.37) MAPTCDH1CTNNB1TCF7L2LTA4H
SCHEMBL4678600 0.82 HSD17B10 (0.41) MAPTALDH1A1SMN1; SMN2HSD17B10KDM4E

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 MAPT 205/4885ALDH1A1 980/4885P2RX3 2299/4885

“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.