SCHEMBL471034

SCHEMBL471034

COCc1cc2[nH]c(=O)c(=O)[nH]c2cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.46
GRIN3B O60391 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
GRIN2B Q13224 4/20 0.46
GRIN2C Q14957 4/20 0.46
GRIN3A Q8TCU5 4/20 0.46
GRIA1 P42261 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA3 P42263 2/20 0.44
GRIA4 P48058 2/20 0.44
KDM4E B2RXH2 5/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL471040 0.87 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10186154 0.86 GRIA1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1721600 0.77 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7908962 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7899516 0.76 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL471000 0.73 KDM4E (0.47) KDM4EGLAGAAMAPTRXFP1
SCHEMBL24515830 0.70 PRKCE (0.47) KDM4EGAAMAPTRXFP1ALDH1A1
SCHEMBL26555254 0.70 SMN1; SMN2 (0.40) KDM4EGAAMAPTRXFP1ALDH1A1
SCHEMBL9316146 0.70 MAPT (0.40) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL24516625 0.69 SOS1 (0.43) KDM4EMAPTRXFP1ALDH1A1KMT2A

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-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
WO-2012033101-A1 QUINOXALINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 WO disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 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 (3 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A GRIN2D 4578/4885GRIN3B 4719/4885GRIN1 4181/4885
US-20130296329-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE2A GRIN2D 4712/4885GRIN3B 4761/4885GRIN1 4421/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A GRIN2D 4810/4885GRIN3B 4848/4885GRIN1 4685/4885

“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.