SCHEMBL4672935

SCHEMBL4672935

COc1cccc(Oc2ccoc2C(=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
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
ALOX15 P16050 3/20 0.38
TSHR P16473 3/20 0.38
USP2 O75604 3/20 0.38
TP53 P04637 3/20 0.38
ALOX12 P18054 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HAO1 Q9UJM8 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
SCHEMBL4671915 0.90 KMT2A (0.36) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL4673610 0.88 MAPT (0.34) POLBKMT2AMEN1MAPTLMNA
SCHEMBL4672137 0.88 CYP3A4 (0.40) LMNAHAO1
SCHEMBL4671508 0.85 KDM4E (0.38) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL4670767 0.85 HTT (0.38) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL4674895 0.84 KDM4E (0.40) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL4672407 0.82 KDM4E (0.45) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL4670593 0.82 MAPT (0.37) KDM4EMAPTLMNAALDH1A1GLA
SCHEMBL4676454 0.82 EDNRA (0.38) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL4672965 0.82 KDM4C (0.40) POLBLMNATP53GAAMAOA

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 58/4885KMT2A 597/4885

“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.