SCHEMBL4674896

SCHEMBL4674896

COc1cccc(Oc2occc2CC(=O)C(=O)c2nc[nH]n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
MTNR1B P49286 5/20 0.35
MTNR1A P48039 3/20 0.35
MAPT P10636 4/20 0.34
USP2 O75604 3/20 0.34
TP53 P04637 3/20 0.34
ALOX12 P18054 3/20 0.34
ALOX15 P16050 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
HSP90AA1 P07900 1/20 0.34
BRAF P15056 1/20 0.34
POLB P06746 2/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL4674091 0.89 KMT2A (0.34) LMNAMEN1KMT2AMTNR1BMTNR1A
SCHEMBL4673049 0.88 CYP3A4 (0.35) POLBKDM4E
SCHEMBL4676668 0.87 CES1 (0.33) LMNAALOX15ALDH1A1BRAFCES1
SCHEMBL4672941 0.85 KDM4E (0.41) MEN1KMT2AMAPTALDH1A1BRAF
SCHEMBL4672943 0.84 KMT2A (0.42) LMNAMEN1KMT2AMTNR1BMTNR1A
SCHEMBL4674907 0.83 LMNA (0.36) LMNAMEN1KMT2AMTNR1BMTNR1A
SCHEMBL4672712 0.82 MTNR1A (0.36) LMNAMTNR1BMTNR1A
SCHEMBL4676413 0.82 KDM4C (0.39) MTNR1BMTNR1AMAPTALOX15ALDH1A1
SCHEMBL4673491 0.82 LMNA (0.38) LMNAMEN1KMT2AMTNR1BMTNR1A
SCHEMBL4672413 0.82 MEN1 (0.40) LMNAMEN1KMT2AMTNR1BMTNR1A

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 659/4885MEN1 4663/4885KMT2A 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.