SCHEMBL4676645

SCHEMBL4676645

O=C(Cc1ccc(Sc2ccccc2Cl)o1)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
PKM P14618 1/20 0.34
HAO1 Q9UJM8 1/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
LDHA P00338 4/20 0.31
LDHB P07195 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4672748 0.85 PTPN11 (0.39) PTPN11MAPTLMNA
SCHEMBL4678891 0.85 PTPN11 (0.40) PTPN11HAO1MAPTKMT2AMEN1
SCHEMBL4674447 0.82 POLB (0.37) PTPN11PKMHAO1HPGDMAPT
SCHEMBL4671041 0.82 PKM (0.32) PTPN11PKMHAO1HPGDMAPT
SCHEMBL4675748 0.82 PKM (0.32) PKMHAO1HPGDMAPT
SCHEMBL4673815 0.81 PTPN11 (0.38) PTPN11HPGDMAPTKMT2AMEN1
SCHEMBL4675326 0.80 ALDH1A1 (0.38) PKMMAPTKMT2AMEN1LMNA
SCHEMBL4677979 0.80 PKM (0.33) PTPN11PKMHAO1HPGDMAPT
SCHEMBL4670670 0.80 PKM (0.33) PKMHAO1HPGDMAPTKMT2A
SCHEMBL4670526 0.80 PKM (0.33) PTPN11PKMHAO1HPGDMAPT

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 5 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-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 PTPN11 3101/4885PKM 2609/4885HAO1 600/4885

“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.