SCHEMBL4674602

SCHEMBL4674602

O=C(C=C(O)c1nc[nH]n1)c1cocc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
PPOX P50336 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
FFAR1 O14842 2/20 0.31
RAB9A P51151 1/20 0.31
LTA4H P09960 1/20 0.31
EPHX2 P34913 1/20 0.31
PPARD Q03181 2/20 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
SCHEMBL4676929 0.88 KDM4E (0.38) ALDH1A1ICAM1SELEMEN1KMT2A
SCHEMBL4673539 0.87 CTNNB1 (0.33) ALDH1A1
SCHEMBL4671775 0.86 GAA (0.34) ALDH1A1ICAM1SELEMEN1KMT2A
SCHEMBL4673572 0.86 ICAM1 (0.31) ICAM1SELE
SCHEMBL4672547 0.86 CDH1 (0.33) ICAM1SELETDP1RAB9A
SCHEMBL4671741 0.84 MAPT (0.37) ALDH1A1ICAM1SELERAB9A
SCHEMBL4675422 0.83 RXRA (0.33)
SCHEMBL4670849 0.82 KDM4C (0.35) ALDH1A1KDRFLT3KDM4CRAB9A
SCHEMBL4673095 0.82 ALDH1A1 (0.34) ALDH1A1ICAM1SELEKDRFLT3
SCHEMBL5899356 0.81 KDM5A (0.35) ALDH1A1KDM4CFFAR1PPARD

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 ALDH1A1 980/4885ICAM1 1527/4885SELE 2697/4885

“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.