SCHEMBL5196748

SCHEMBL5196748

Cn1cc(-c2cc(C(=O)O)c(NC(=O)Nc3c(Cl)cccc3Cl)s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.44
PTPN5 P54829 1/20 0.44
POLB P06746 1/20 0.42
ABCC1 P33527 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ERO1A Q96HE7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHEK1 O14757 1/20 0.39
ACLY P53396 1/20 0.39
KIT P10721 1/20 0.39
AURKB Q96GD4 1/20 0.39
STING1 Q86WV6 1/20 0.39

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
SCHEMBL5422971 0.87 TTK (0.40) NPC1RAB9ANPSR1KDM4EMAPT
SCHEMBL5196971 0.83 NPC1 (0.61) NPC1RAB9ANPSR1KDM4EMAPT
SCHEMBL5193292 0.83 PYGL (0.56)
SCHEMBL5417707 0.82 PYGL (0.39) NPSR1KDM4EMAPTIRAK4MEN1
SCHEMBL5417702 0.81 PYGL (0.44) IRAK4HDAC6CHEK1
SCHEMBL5415526 0.81 SLC6A9 (0.38) NPC1RAB9ANPSR1KDM4EMAPT
SCHEMBL5192448 0.81 NPC1 (0.50) NPC1RAB9ANPSR1KDM4EMAPT
SCHEMBL5415530 0.80 CHEK1 (0.35) IRAK4HDAC6CHEK1KIT
SCHEMBL5196001 0.79 IKBKB (0.52) NPC1RAB9ANPSR1KDM4EMAPT
SCHEMBL5195979 0.79 CHEK1 (0.55) NPC1RAB9ANPSR1KDM4EMAPT

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
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 NPC1 1701/4885RAB9A 4414/4885NPSR1 4240/4885

“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.