SCHEMBL2116640

SCHEMBL2116640

CCNC(=S)n1ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL2117436 0.80 NOTUM (0.59) NOTUML3MBTL1TSHRRAB9AMAPK1
SCHEMBL5638322 0.72 TSHR (0.58) NOTUML3MBTL1TSHRRAB9AALDH1A1
SCHEMBL31470926 0.71 NOTUM (0.66) NOTUML3MBTL1TSHRRAB9AMAPK1
SCHEMBL6665481 0.71 NOTUM (0.66) NOTUML3MBTL1TSHRRAB9AMAPK1
SCHEMBL6508677 0.71 NOTUM (0.55) NOTUML3MBTL1TSHRRAB9AGAA
SCHEMBL30452280 0.70 NOTUM (0.65) NOTUML3MBTL1TSHRRAB9AMAPK1
SCHEMBL2997057 0.70 NOTUM (0.65) NOTUML3MBTL1TSHRRAB9AMAPK1
SCHEMBL13041449 0.69 NOTUM (0.57) NOTUML3MBTL1TSHRRAB9AMAPK1
SCHEMBL25937249 0.68 NOTUM (0.61) NOTUML3MBTL1TSHRRAB9AMAPK1
SCHEMBL600415 0.68 NOTUM (0.61) NOTUML3MBTL1TSHRRAB9AMAPK1

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 8 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

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 4008/4885L3MBTL1 4469/4885TSHR 534/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B NOTUM 4008/4885L3MBTL1 4469/4885TSHR 534/4885

“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.