SCHEMBL2736504

SCHEMBL2736504

Cc1ccn(C)c(=S)c1Oc1nc2ccccc2o1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.73
LTA4H P09960 8/20 0.42
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.38

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
SCHEMBL216643 0.85 CNR2 (1.00) CNR2LTA4HKCNH2MAPT
SCHEMBL2736508 0.75 CNR2 (0.71) CNR2LTA4HKCNH2MAPT
SCHEMBL2736498 0.75 CNR2 (0.73) CNR2LTA4HKCNH2
SCHEMBL216005 0.75 CNR2 (0.58) CNR2LTA4HKCNH2MAPT
SCHEMBL9499089 0.74 NPC1 (0.52) CNR2LTA4HKCNH2MAPT
SCHEMBL218404 0.71 CNR2 (0.77) CNR2LTA4HKCNH2
SCHEMBL13991165 0.69 CNR2 (1.00) CNR2LTA4HKCNH2MAPT
SCHEMBL29818654 0.69 LTA4H (0.61) CNR2LTA4HKCNH2MAPT
SCHEMBL2736501 0.69 CNR2 (0.74) CNR2LTA4HKCNH2MAPT
SCHEMBL358439 0.68 LTA4H (0.56) CNR2LTA4HKCNH2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US 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 (2 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CNR2 1/4885LTA4H 2119/4885KCNH2 1048/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885LTA4H 212/4885KCNH2 1628/4885

“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.