SCHEMBL217275

SCHEMBL217275

CCCCn1cccc(CSc2nc3ccccc3o2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
PTGS2 P35354 3/20 0.49
TDP1 Q9NUW8 2/20 0.47
CNR2 P34972 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL2736610 0.84 ELANE (0.57) ELANESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL215736 0.78 CNR2 (0.58) ELANENPC1RAB9AKMT2AMAPT
SCHEMBL2760202 0.74 ELANE (0.46) ELANESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL29751905 0.71 DDAH1 (0.67) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL423424 0.71 DDAH1 (0.67) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL11345934 0.70 DDAH1 (0.65) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL16609345 0.70 ELANE (0.61) ELANESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9752729 0.69 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL11779882 0.69 DDAH1 (0.63) KMT2AMEN1MAPTPTGS2TDP1
SCHEMBL5020552 0.68 DDAH1 (0.71) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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 19 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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 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-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 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 (5 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 ELANE 4607/4885SMN1; SMN2 4652/4885NPC1 4500/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 ELANE 943/4885SMN1; SMN2 3763/4885NPC1 1799/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R ELANE 4679/4885SMN1; SMN2 4681/4885NPC1 4554/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ELANE 512/4885SMN1; SMN2 3366/4885NPC1 2141/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R ELANE 4769/4885SMN1; SMN2 4647/4885NPC1 3732/4885

“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.