SCHEMBL4672819

SCHEMBL4672819

O=C(C=C(O)c1nc[nH]n1)c1occc1-c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.33
MAPT P10636 1/20 0.32
MAP4K4 O95819 1/20 0.31
CYP3A4 P08684 1/20 0.31
FYN P06241 1/20 0.31
GAA P10253 1/20 0.30
CA12 O43570 1/20 0.30
ALPL P05186 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
CDH1 P12830 1/20 0.30
CTNNB1 P35222 1/20 0.30
TCF7L2 Q9NQB0 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
SCHEMBL4673273 0.90 MAPK14 (0.34) MAP4K4CA12ALPL
SCHEMBL4679875 0.90 HCRTR1 (0.35)
SCHEMBL4674845 0.89 HCRTR1 (0.32) MAPTALPL
SCHEMBL4672775 0.87 KMO (0.37) KMOMAPTMAP4K4PTGDR2
SCHEMBL27555769 0.82 LRRK2 (0.32)
SCHEMBL4673422 0.82 CDH1 (0.33) MAPTCDH1CTNNB1TCF7L2
SCHEMBL4677477 0.82 GAA (0.35) KMOGAACA12ALPLCDH1
SCHEMBL4676398 0.81 HAO1 (0.34)
SCHEMBL4675423 0.81 HRH1 (0.33) MAPT
SCHEMBL4672361 0.81 ALDH1A1 (0.34) MAPTCYP3A4

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 KMO 1384/4885MAPT 205/4885MAP4K4 2369/4885

“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.