SCHEMBL4678501

SCHEMBL4678501

O=C(Cc1ccc(Oc2cccc(C(F)(F)F)c2)o1)C(=O)c1nc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4675141 0.88 ALDH1A1 (0.38) ALDH1A1THRBLMNA
SCHEMBL4678799 0.85 LMNA (0.39) KDM4EALDH1A1POLBMAPTMEN1
SCHEMBL4677856 0.85 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHTT
SCHEMBL4676489 0.84 KDM4E (0.42) KDM4EALDH1A1POLBL3MBTL1MAPT
SCHEMBL4676009 0.84 KLKB1 (0.32) KDM4EALDH1A1MAPT
SCHEMBL4676764 0.83 KDM4E (0.41) KDM4EALDH1A1POLBL3MBTL1MAPT
SCHEMBL4677064 0.82 NR3C2 (0.39) POLBL3MBTL1MAPTMEN1KMT2A
SCHEMBL4676932 0.82 KDM4E (0.41) KDM4EALDH1A1POLBL3MBTL1MAPT
SCHEMBL4672941 0.82 KDM4E (0.41) KDM4EALDH1A1POLBL3MBTL1MAPT
SCHEMBL4671080 0.80 SIRT2 (0.36) KDM4EALDH1A1POLBL3MBTL1MEN1

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 KDM4E 947/4885ALDH1A1 980/4885POLB 58/4885

“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.