SCHEMBL4670526

SCHEMBL4670526

O=C(Cc1occc1Sc1ccccc1Cl)C(=O)c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
PTGER3 P43115 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPN11 Q06124 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
SCHEMBL4675906 0.85 HAO1 (0.36) POLBHSD17B10HAO1HPGDPTGER3
SCHEMBL4674219 0.85 KDM4E (0.32) MAPTLMNA
SCHEMBL4670670 0.85 PKM (0.33) PKMPOLBGAARAB9AHSD17B10
SCHEMBL4676405 0.84 NPSR1 (0.33) POLBHSD17B10HAO1HPGDMAPT
SCHEMBL4675813 0.82 SLC6A9 (0.35) POLBGAARAB9AHPGDMAPT
SCHEMBL4677979 0.81 PKM (0.33) PKMPOLBGAARAB9AHSD17B10
SCHEMBL4672851 0.80 CXCL8 (0.39) PKMPOLBRAB9AHPGDMAPT
SCHEMBL4676645 0.80 PTPN11 (0.36) PKMHAO1HPGDMAPTKMT2A
SCHEMBL4676403 0.80 CYP2C9 (0.35) HPGD
SCHEMBL4671785 0.80 PDE3B (0.34) POLBLMNATDP1

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 PKM 2609/4885POLB 58/4885GAA 1884/4885

“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.