SCHEMBL4672080

SCHEMBL4672080

O=C(Cc1ccoc1Sc1cccc(Cl)c1)C(=O)c1nc[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE4B Q07343 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A9 P48067 4/20 0.32
NOTUM Q6P988 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
IDO1 P14902 1/20 0.31
TP53 P04637 2/20 0.31
ALOX12 P18054 1/20 0.31
USP7 Q93009 1/20 0.30
GRM5 P41594 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL4674882 0.87 HAO1 (0.33) MEN1HPGDKMT2AMAPTKDM4E
SCHEMBL4672712 0.86 MTNR1A (0.36) NOTUM
SCHEMBL4670990 0.85 SIRT2 (0.35) MEN1KMT2AGAANOTUMKDM4E
SCHEMBL4675813 0.85 SLC6A9 (0.35) MEN1HPGDKMT2AGAAMAPT
SCHEMBL4675246 0.83 SLC6A9 (0.35) MEN1HPGDKMT2APDE4BGAA
SCHEMBL4676828 0.82 SLC6A9 (0.33) MEN1HPGDKMT2APDE4BGAA
SCHEMBL4670670 0.81 PKM (0.33) MEN1HPGDKMT2AGAAMAPT
SCHEMBL4671178 0.81 CYP2C9 (0.33) HPGD
SCHEMBL4679216 0.81 MAPT (0.33) MEN1HPGDKMT2AGAAMAPT
SCHEMBL4671726 0.81 PTPN11 (0.33) MEN1HPGDKMT2APDE4BGAA

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 MEN1 4663/4885HPGD 2816/4885KMT2A 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.