SCHEMBL2117436

SCHEMBL2117436

CCNC(=O)n1ccc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
TSHR P16473 2/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.48
GAA P10253 2/20 0.46
BCHE P06276 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CDK2 P24941 2/20 0.43
MAPK8 P45983 2/20 0.43
MAPK9 P45984 2/20 0.43
JUN P05412 1/20 0.43
S1PR1 P21453 1/20 0.41
LMNA P02545 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL27313595 0.82 NOTUM (0.50) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL29373439 0.81 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL6374063 0.81 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL27312078 0.81 ASAH1 (0.57) NOTUMTSHRRAB9AL3MBTL1BCHE
SCHEMBL27312085 0.80 HTR2C (0.55) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL2116640 0.80 NOTUM (0.50) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL27481652 0.79 NOTUM (0.50) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL27480047 0.79 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL29629999 0.77 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL6535697 0.77 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 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 (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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B NOTUM 4008/4885TSHR 534/4885RAB9A 1225/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B NOTUM 4008/4885TSHR 534/4885RAB9A 1225/4885

“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.