SCHEMBL1492111

SCHEMBL1492111

COc1ccccc1/C=N/C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NFE2L2 Q16236 3/20 0.47
TRPA1 O75762 1/20 0.47
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.42
TFEB P19484 1/20 0.41

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
SCHEMBL1492113 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14860639 0.85 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27974852 0.85 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14860069 0.85 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14860070 0.85 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14860640 0.85 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6862696 0.80 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12957594 0.74 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12017600 0.74 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13133360 0.73 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
WO-2011031764-A2 COMPOUNDS AND RELATED METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-03-17 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-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE BCAT2, BCAT1, AADAT GRIN2D 763/4885GRIN3B 630/4885GRIN1 429/4885

“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.