SCHEMBL4675813

SCHEMBL4675813

O=C(Cc1occc1Sc1cccc(Cl)c1)C(=O)c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.35
IDO1 P14902 1/20 0.34
PTGER3 P43115 1/20 0.33
RHEB Q15382 1/20 0.32
MAPT P10636 4/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
NOTUM Q6P988 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4676405 0.88 NPSR1 (0.33) SLC6A9RHEBMAPTHPGDMEN1
SCHEMBL4676458 0.86 MTNR1A (0.36) IDO1MEN1KMT2ALMNANOTUM
SCHEMBL4671935 0.85 KDR (0.35) MEN1KMT2AGAASLC6A2SLC6A4
SCHEMBL4672080 0.85 MEN1 (0.32) SLC6A9IDO1MAPTHPGDMEN1
SCHEMBL4670526 0.82 PKM (0.33) PTGER3MAPTHPGDMEN1KMT2A
SCHEMBL4675246 0.82 SLC6A9 (0.35) SLC6A9IDO1PTGER3RHEBMAPT
SCHEMBL4673113 0.81 TP53 (0.34) SLC6A9IDO1MAPTHPGDLMNA
SCHEMBL4676403 0.81 CYP2C9 (0.35) HPGD
SCHEMBL4676828 0.81 SLC6A9 (0.33) SLC6A9IDO1MAPTHPGDMEN1
SCHEMBL4671726 0.80 PTPN11 (0.33) SLC6A9IDO1MAPTHPGDMEN1

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 SLC6A9 832/4885IDO1 34/4885PTGER3 4747/4885

“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.