SCHEMBL4673382

SCHEMBL4673382

COc1ccccc1Oc1coc(CC(=O)C(=O)c2nc[nH]n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 3/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 4/20 0.33
ALOX12 P18054 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MTNR1B P49286 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
SCHEMBL4675076 0.88 CXCL8 (0.35) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL4671058 0.86 MEN1 (0.34) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL4673357 0.86 KDM4E (0.36) KMT2ASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL4675378 0.85 LMNA (0.39) KMT2AMEN1POLBLMNAKDM4E
SCHEMBL4671467 0.85 THRA (0.34) POLBALDH1A1LPAR1LPAR5
SCHEMBL4671632 0.82 AR (0.37) KMT2AMEN1POLBMAPTNPSR1
SCHEMBL4672008 0.81 MEN1 (0.36) KMT2AMEN1POLBSMN1; SMN2HSD17B10
SCHEMBL4672779 0.81 SMN1; SMN2 (0.36) KMT2AMEN1POLBSMN1; SMN2HSD17B10
SCHEMBL4676410 0.81 HAO1 (0.34) POLBSMN1; SMN2HSD17B10HPGDMTNR1B
SCHEMBL4676175 0.80 PARP10 (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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 KMT2A 597/4885MEN1 4663/4885POLB 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.