SCHEMBL4672972

SCHEMBL4672972

COc1cccc(Cc2ccoc2CC(=O)C(=O)c2nc[nH]n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39
DHFR P00374 1/20 0.38
NR3C2 P08235 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CNR1 P21554 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
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

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
SCHEMBL4676413 0.92 KDM4C (0.39) KDM4CKDM5BFGFR1FGFR4DHFR
SCHEMBL4671456 0.88 MAOB (0.36) KDM5BALDH1A1HTTSMN1; SMN2
SCHEMBL4678673 0.86 HCAR2 (0.38) KDM4CKDM5BNR3C2
SCHEMBL4671545 0.86 CYP3A4 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL4677202 0.85 HCAR2 (0.31) SMN1; SMN2
SCHEMBL4675266 0.84 FGFR1 (0.40) KDM4CKDM5BFGFR1FGFR4DHFR
SCHEMBL4676242 0.83 MPO (0.39) NR3C2ALDH1A1HTT
SCHEMBL4672943 0.82 KMT2A (0.42) MTNR1AMTNR1BNPSR1ALDH1A1HTT
SCHEMBL4675412 0.81 TP53 (0.34) SMN1; SMN2
SCHEMBL4674220 0.81 NPSR1 (0.39) KDM4CKDM5BFGFR1FGFR4NR3C2

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 1480/4885FGFR1 1622/4885

“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.