SCHEMBL3847092

SCHEMBL3847092

O=C1Nc2cccc(-c3ccsc3)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
PTPRC P08575 1/20 0.42
STK10 O94804 2/20 0.38
SLK Q9H2G2 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TMIGD3 P0DMS9 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL8980802 0.79 CHEK1 (0.44) MAOBPTPRCSTK10SLKUSP2
SCHEMBL9110123 0.78 MAOA (0.57) CES1MAOBMAOAPDGFRAFER
SCHEMBL4180952 0.78 CES1 (0.50) CES1MAOBMAOAPTPRCSTK10
SCHEMBL11202707 0.78 PDE3B (0.51) CES1MAOBMAOAALDH1A1PDGFRA
Hydrochloric Acid SCHEMBL11214501 0.76 PDE3B (0.50) CES1MAOBMAOAALDH1A1PDGFRA
SCHEMBL27554975 0.73 PTPRC (0.54) MAOBMAOAPTPRCALDH1A1TMIGD3
SCHEMBL8980813 0.71 MEN1 (0.46) MAOBPTPRCUSP2ALDH1A1TMIGD3
SCHEMBL14811237 0.71 ALDH1A1 (0.50) CES1MAOBMAOAALDH1A1LRRK2
SCHEMBL14812709 0.69 MAOA (0.53) CES1MAOBMAOAALDH1A1PDGFRA
SCHEMBL26259994 0.67 CYP2A6 (0.52) MAOBPTPRCPDGFRACDK8TMIGD3

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
US-20140378451-A1 Cannabinoid-2-Receptor Agonists ISIS INNOVATION LIMITED (GB) 2014-12-25 US disclosed
US-20140378451-A1 Cannabinoid-2-Receptor Agonists ISIS INNOVATION LIMITED (GB) 2014-12-25 US disclosed
EP-2032135-A2 METHOD OF MODULATING NEURITE OUTGROWTH BY THE USE OF A GALANIN-3 RECEPTOR ANTAGONIST Helicon Therapeutics, Inc. (US) 2009-03-11 EP disclosed
EP-1957067-A1 INDOLONE COMPOUNDS USEFUL TO TREAT COGNITIVE IMPAIRMENT Helicon Therapeutics, Inc. (US) 2008-08-20 EP disclosed
WO-2008002946-A2 METHOD OF MODULATING NEURITE OUTGROWTH BY THE USE OF A GALANIN-3 RECEPTOR ANTAGONIST HELICON THERAPEUTICS, INC. (US) 2008-01-03 WO disclosed
WO-2007070362-A1 INDOLONE COMPOUNDS USEFUL TO TREAT COGNITIVE IMPAIRMENT HELICON THERAPEUTICS, INC. (US) 2007-06-21 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-20140378451-A1 Cannabinoid-2-Receptor Agonists CNR2, CNR1, GPR18 CES1 1021/4885MAOB 2247/4885MAOA 2195/4885

“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.