SCHEMBL13849685

SCHEMBL13849685

O=Cc1cc2cc3c(cc2[nH]c1=O)CCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.56
GRIN3B O60391 2/20 0.56
GRIN1 Q05586 2/20 0.56
GRIN2A Q12879 2/20 0.56
GRIN2B Q13224 2/20 0.56
GRIN2C Q14957 2/20 0.56
GRIN3A Q8TCU5 2/20 0.56
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
DAO P14920 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
CHEK1 O14757 1/20 0.35
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2556358 0.97 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12342245 0.77 CYP2A6 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17603468 0.74 KDM4E (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2562704 0.72 KMT2A (0.42) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL2558670 0.72 CA2 (0.49) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL32661815 0.70 KDM4E (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29955231 0.70 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17601385 0.69 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17603531 0.69 DAO (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14609231 0.69 MEN1 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1908752-A1 NOVEL 2-QUINOLONE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-04-09 EP 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-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE SCN1B, OPRL1, SCN1A GRIN2D 235/4885GRIN3B 530/4885GRIN1 157/4885

“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.