SCHEMBL6081154

SCHEMBL6081154

O=C(O)c1nc2c(O)cccc2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
LMNA P02545 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIK4 Q16099 1/20 0.45
GRIK5 Q16478 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
PARP1 P09874 5/20 0.43

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
SCHEMBL6080438 0.79 CA12 (0.49) LMNAHPGDPARP1KDM4ECYP1A2
SCHEMBL7646 0.78 KDM4E (0.46) GRIN1GRIN2BLMNAHPGDPARP1
SCHEMBL1042351 0.77 PLAUR (0.54) GRIN1GRIN2BPARP1TNKSTNKS2
SCHEMBL3237187 0.77 PARP1 (0.53) GRIN1GRIN2BPARP1TNKSTNKS2
Bromide SCHEMBL5141524 0.75 PLAUR (0.53) GRIN1GRIN2BPARP1TNKSTNKS2
SCHEMBL880382 0.75 HPGD (0.73) GRIN1GRIN2BGRIN2DGRIN3BLMNA
SCHEMBL10375895 0.74 NUDT1 (0.49) GRIN1GRIN2BGRIN2DGRIN3BLMNA
SCHEMBL3463336 0.74 HTR6 (0.55) PARP1CYP1A2CYP2D6
SCHEMBL6586376 0.74 SRD5A2 (0.52) LMNADHODH
SCHEMBL9704255 0.73 GRIN2D (0.55) GRIN1GRIN2BGRIN2DGRIN3BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL GRIN1 2496/4885GRIN2B 2804/4885GRIN2D 3095/4885

“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.