SCHEMBL4672965

SCHEMBL4672965

COc1cccc(Cc2ccoc2C(=O)C=C(O)c2nc[nH]n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NR3C2 P08235 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
DHFR P00374 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
VNN1 O95497 1/20 0.36
BRS3 P32247 1/20 0.36
FPR3 P25089 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4671452 0.88 KDM5A (0.36) KDM5BMTNR1AMTNR1BMAOBTP53
SCHEMBL4677199 0.88 HRH1 (0.33) POLB
SCHEMBL4671543 0.87 CYP3A4 (0.41) KDM4CKDM5BBRS3LMNA
SCHEMBL4678670 0.87 HCAR2 (0.39) KDM4CKDM5BNR3C2POLBBRS3
SCHEMBL4676408 0.86 KDM4C (0.43) KDM4CKDM5BNR3C2MTNR1AMTNR1B
SCHEMBL4676237 0.84 NR3C2 (0.38) NR3C2VNN1GPR52
SCHEMBL4675264 0.84 KDM4C (0.41) KDM4CKDM5BNR3C2FPR1FPR2
SCHEMBL4675382 0.83 KDM4C (0.41) KDM4CKDM5BNR3C2MTNR1AMTNR1B
SCHEMBL4672929 0.82 NPC1 (0.36) NR3C2MTNR1AMTNR1BPOLBBRS3
SCHEMBL4675408 0.82 TP53 (0.32) TP53POLBGAALMNA

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 1480/4885NR3C2 221/4885

“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.