SCHEMBL874549

SCHEMBL874549

O=C(Cl)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
FABP7 O15540 2/20 0.45
FABP5 Q01469 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.41
CCR6 P51684 1/20 0.41
EPHX2 P34913 1/20 0.41
BRD4 O60885 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL29400785 0.88 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19FABP7
SCHEMBL119502 0.88 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19FABP7
SCHEMBL29677774 0.88 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19FABP7
SCHEMBL8361479 0.87 L3MBTL1 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19FABP7
SCHEMBL8772549 0.87 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19L3MBTL1
SCHEMBL22397770 0.86 POLB (0.52) SMN1; SMN2FABP7FABP5L3MBTL1KMT2A
SCHEMBL13327274 0.86 POLB (0.52) SMN1; SMN2FABP7FABP5L3MBTL1KMT2A
SCHEMBL4359233 0.85 TSHR (0.43) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL1372951 0.85 TSHR (0.43) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL693889 0.85 L3MBTL1 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19FABP7

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
EP-1337253-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2003-08-27 EP disclosed
WO-2002043734-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2002-06-06 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 (3 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-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 SMN1; SMN2 1634/4885NPC1 2308/4885RAB9A 164/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A SMN1; SMN2 1351/4885NPC1 2398/4885RAB9A 81/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 SMN1; SMN2 4711/4885NPC1 1365/4885RAB9A 2780/4885

“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.