SCHEMBL13489309

SCHEMBL13489309

C(=N\C(c1ccccc1)c1ccccc1)\c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOX1 Q9Y5S8 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
G6PC1 P35575 1/20 0.36
CYP1A2 P05177 1/20 0.35
DPP4 P27487 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1493603 1.00 LMNA (0.50) LMNAL3MBTL1NOX1GRIN2DGRIN3B
SCHEMBL1492173 1.00 LMNA (0.50) LMNAL3MBTL1NOX1GRIN2DGRIN3B
SCHEMBL11529245 0.88 IDO1 (0.47) LMNAL3MBTL1GRIN1GRIN2BMEN1
SCHEMBL13133358 0.86 NFE2L2 (0.47) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL1492138 0.86 MAPT (0.49) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1492136 0.86 MAPT (0.49) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1492206 0.86 MAPT (0.49) LMNAL3MBTL1MEN1KMT2AGAA
SCHEMBL1492203 0.86 MAPT (0.49) LMNAL3MBTL1MEN1KMT2AGAA
SCHEMBL1492109 0.86 SMN1; SMN2 (0.48) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL1492112 0.86 SMN1; SMN2 (0.48) LMNAL3MBTL1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642812-B2 Frustrated Lewis pair compositions STEPHAN CONSULTING CORPORATION (CA) 2014-02-04 US disclosed
US-20130018207-A1 Frustrated Lewis Pair Compositions STEPHAN CONSULTING CORPORATION (CA) 2013-01-17 US disclosed
US-8299284-B2 Frustrated lewis pair compositions STEPHAN CONSULTING CORPORATION (CA) 2012-10-30 US disclosed
US-20100048949-A1 HYDROGEN SPLITTING COMPOSITION STEPHAN CONSULTING CORPORATION (CA) 2010-02-25 US 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-20130018207-A1 Frustrated Lewis Pair Compositions LPAR3, SSTR3, LPAR1 LMNA 2047/4885L3MBTL1 950/4885NOX1 1986/4885
US-20100048949-A1 HYDROGEN SPLITTING COMPOSITION SSTR3, FFAR3, SSTR1 LMNA 2276/4885L3MBTL1 2072/4885NOX1 2951/4885

“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.