SCHEMBL4673085

SCHEMBL4673085

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2cccc(F)c2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.42
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
SNCA P37840 2/20 0.35
NR4A2 P43354 2/20 0.34
NR3C2 P08235 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
SRC P12931 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL4672128 0.89 ALPL (0.34) MAPK1LMNA
SCHEMBL4672107 0.84 HCAR2 (0.42) HCAR2MAPK1LMNAPOLBTHRB
SCHEMBL4677813 0.83 CYP1A2 (0.32) MAPK1LMNAPOLB
SCHEMBL4674678 0.82 HCAR3 (0.39) SNCA
SCHEMBL4677798 0.82 ALPL (0.34)
SCHEMBL4674016 0.82 MAPT (0.38) MAPK1POLB
SCHEMBL4679618 0.82 HCAR2 (0.48) HCAR2LMNAPOLBTHRBKDM5A
SCHEMBL4678617 0.81 HCAR2 (0.38) HCAR2THRBSNCANR4A2NR3C2
SCHEMBL4671771 0.81 HCAR2 (0.42) HCAR2MAPK1SNCANR4A2NR3C2
SCHEMBL4673283 0.80 KMT2A (0.37) LMNA

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 HCAR2 276/4885MAPK1 2560/4885LMNA 659/4885

“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.