SCHEMBL4675372

SCHEMBL4675372

COc1cccc(Oc2coc(C(=O)C=C(O)c3nc[nH]n3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MTNR1B P49286 4/20 0.35
MTNR1A P48039 3/20 0.35
PGR P06401 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
GAA P10253 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
RAF1 P04049 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
SCHEMBL4671052 0.91 NR4A2 (0.33) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL4673353 0.89 ALDH1A1 (0.34) LMNAKDM4EPOLBFFAR1MEN1
SCHEMBL4675460 0.88 LMNA (0.35) LMNAKDM4EHAO1
SCHEMBL4673377 0.86 KMT2A (0.37) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL4676486 0.85 KDM4E (0.39) KDM4EPOLBMEN1KMT2AMRGPRX4
SCHEMBL4675382 0.84 KDM4C (0.41) LMNAPOLBMTNR1BMTNR1AMEN1
SCHEMBL4678796 0.84 LMNA (0.38) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL4676271 0.83 EDNRA (0.38) LMNAMTNR1BMTNR1AMEN1KMT2A
SCHEMBL4673485 0.83 LMNA (0.38) LMNAKDM4EPOLBMTNR1BMTNR1A
SCHEMBL4673894 0.82 RAB9A (0.40) LMNAPOLBKMT2AMAOBALDH1A1

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 LMNA 659/4885KDM4E 947/4885POLB 58/4885

“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.