SCHEMBL4672407

SCHEMBL4672407

COc1cccc(Oc2cocc2C(=O)C=C(O)c2nc[nH]n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 4/20 0.38
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
MAPT P10636 5/20 0.35
TSHR P16473 4/20 0.35
ALOX15 P16050 3/20 0.35
USP2 O75604 3/20 0.35
TP53 P04637 3/20 0.35
ALOX12 P18054 3/20 0.35
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SLC1A5 Q15758 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL4671775 0.90 GAA (0.34) KDM4EPOLBLMNAKMT2AMEN1
SCHEMBL4673539 0.88 CTNNB1 (0.33) KDM4EMAPTTSHRALDH1A1HTT
SCHEMBL4672494 0.88 LMNA (0.39) LMNAMAPTRAB9APYGMHAO1
SCHEMBL4676929 0.85 KDM4E (0.38) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL4675284 0.85 HTT (0.40) KDM4EPOLBLMNAKMT2AMEN1
SCHEMBL4675264 0.82 KDM4C (0.41) POLBLMNAKMT2AMEN1TP53
SCHEMBL4674895 0.82 KDM4E (0.40) KDM4EPOLBLMNAKMT2AMEN1
SCHEMBL4672935 0.82 KDM4E (0.45) KDM4EPOLBLMNAKMT2AMEN1
SCHEMBL4671741 0.82 MAPT (0.37) KDM4ELMNAMAPTALDH1A1NPC1
SCHEMBL4675136 0.82 MEN1 (0.37) KDM4ELMNAKMT2AMEN1ALDH1A1

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 947/4885POLB 58/4885LMNA 659/4885

“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.