SCHEMBL7121819

SCHEMBL7121819

Cc1[nH]c(=O)c(C)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
BRD4 O60885 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ATAD2 Q6PL18 3/20 0.38
MAPK1 P28482 1/20 0.36
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
DPYD Q12882 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5862445 0.83 DPYD (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12946182 0.81 HSD17B10 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15478582 0.77 HSD17B10 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7345760 0.73 KDM4E (0.54) HSD17B10KDM4EGAAHPGDPDE3B
SCHEMBL2907131 0.71 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18080324 0.68 PDE3B (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9477063 0.67 GAA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21736999 0.65
SCHEMBL20599392 0.64 PDE3A (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14857846 0.64 ALOX15 (0.52) HSD17B10KDM4EGAAHPGDALDH1A1

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-8653248-B2 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. 2003-06-26 US disclosed
US-6495672-B1 DIAGNOSIS AND SEPARATION THROUGH TRIPLEX BINDING ISIS PHARMACEUTICALS, INC. 2002-12-17 US disclosed
US-6447998-B1 METHOD OF DETECTING THE PRESENCE, ABSENCE OR AMOUNT OF A PARTICULAR DNA DUPLEX IN A SAMPLE SUSPECTED OF CONTAINING DNA COMPRISING CONTACTING THE SAMPLE WITH AN OLIGOMER OF UNDER CONDITIONS WHEREIN A TRIPLE HELIX IS FORMED BETWEEN THE ISIS PHARMACEUTICALS, INC. 2002-09-10 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 (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-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides NT5C2, NT5C3B, TYMP GRIN2D 1048/4885GRIN3B 1471/4885GRIN1 3358/4885

“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.