SCHEMBL4675382

SCHEMBL4675382

COc1cccc(Cc2coc(C(=O)C=C(O)c3nc[nH]n3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
BRS3 P32247 1/20 0.39
NR3C2 P08235 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
LMNA P02545 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A2 P05177 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTBP2 P56545 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL4671753 0.89 KDM5A (0.39) KDM5BBRS3POLBALDH1A1SMN1; SMN2
SCHEMBL4679147 0.88 PTGER4 (0.35) KDM4CKDM5BLMNAIDH1
SCHEMBL4675734 0.86 HCAR2 (0.40) KDM4CKDM5BBRS3NR3C2MEN1
SCHEMBL4673040 0.86 HCAR2 (0.40) KDM4CKDM5BBRS3MEN1KMT2A
SCHEMBL4674217 0.85 KDM4C (0.38) KDM4CKDM5BNR3C2GPR52LMNA
SCHEMBL4671284 0.84 NR3C2 (0.40) KDM4CKDM5BBRS3NR3C2MEN1
SCHEMBL4675372 0.84 LMNA (0.38) MEN1KMT2AGPR52LMNAMTNR1A
SCHEMBL4675264 0.83 KDM4C (0.41) KDM4CKDM5BBRS3NR3C2MEN1
SCHEMBL4673646 0.83 NR4A2 (0.38) NR3C2MEN1KMT2AGPR52MAOB
SCHEMBL4676408 0.83 KDM4C (0.43) KDM4CKDM5BBRS3NR3C2GPR52

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 KDM4C 785/4885KDM5B 1480/4885BRS3 3289/4885

“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.