SCHEMBL4675264

SCHEMBL4675264

COc1cccc(Cc2cocc2C(=O)C=C(O)c2nc[nH]n2)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
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
CYP1A2 P05177 1/20 0.38
DHFR P00374 1/20 0.38
NR3C2 P08235 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRS3 P32247 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4677522 0.89 KDM5A (0.36) KDM5BPOLBBRS3LMNAALDH1A1
SCHEMBL4677808 0.88 HRH1 (0.32) SMN1; SMN2MEN1KMT2A
SCHEMBL4672373 0.86 HCAR2 (0.39) KDM4CKDM5BBRS3LMNA
SCHEMBL5899354 0.86 HCAR2 (0.39) KDM4CKDM5BNR3C2POLBBRS3
SCHEMBL4672965 0.84 KDM4C (0.40) KDM4CKDM5BFGFR1FGFR4DHFR
SCHEMBL4677632 0.84 NR4A2 (0.37) NR3C2GPR52HTT
SCHEMBL4675382 0.83 KDM4C (0.41) KDM4CKDM5BCYP1A2NR3C2MTNR1A
SCHEMBL4675330 0.83 SRD5A2 (0.30)
SCHEMBL4676408 0.83 KDM4C (0.43) KDM4CKDM5BCYP1A2NR3C2MTNR1A
SCHEMBL4679493 0.82 AR (0.37) NR3C2MTNR1AMTNR1BPOLBBRS3

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.