SCHEMBL12686227

SCHEMBL12686227

Cc1cc(C)n(-c2c(O)c3cc(I)c(Cl)cc3[nH]c2=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC11A2 P49281 1/20 0.36

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
SCHEMBL12686427 0.83 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9205223 0.81 GRIN2D (0.49) ALDH1A1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL12686183 0.78 PRKAG1 (0.60) ALDH1A1KDM4EGAAKMT2AHSD17B10
SCHEMBL16837308 0.76 PRKAG1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12686092 0.76 FASN (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12686230 0.73 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12686158 0.73 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12686411 0.73 GRIN2D (0.39) ALDH1A1KDM4EGAAKMT2AGRIN2D
SCHEMBL12686166 0.73 FASN (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12686207 0.71 FASN (0.36) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
WO-2012119978-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2012-09-13 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-20150238480-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 ALDH1A1 1140/4885KDM4E 2470/4885GAA 959/4885

“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.