SCHEMBL4676505

SCHEMBL4676505

COc1ccc(Cn2cc(C(=O)c3ccccc3)cc2C(=O)C=C(O)c2nn[nH]n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.39
HSP90AB1 P08238 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ACHE P22303 1/20 0.37
CYP19A1 P11511 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CHRM1 P11229 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4673001 0.94 LMNA (0.44) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4677658 0.91 EGLN1 (0.39) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4676055 0.90 ALDH1A1 (0.38) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4673319 0.88 CCR2 (0.37) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4675420 0.88 POLB (0.48) MEN1KMT2AHSP90AB1POLBSMN1; SMN2
SCHEMBL4675890 0.88 LMNA (0.38) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4680101 0.87 CCNC (0.39) MEN1KMT2AHSP90AB1CYP19A1ERCC5
SCHEMBL4672810 0.87 MAPT (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5899364 0.86 LMNA (0.47) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4675104 0.86 PTGDR2 (0.37) NPC1RAB9AMEN1KMT2ALMNA

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 NPC1 934/4885RAB9A 2021/4885MEN1 4663/4885

“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.