SCHEMBL132365

SCHEMBL132365

O[CH]c1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.54
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A1 P04798 1/20 0.41

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
SCHEMBL16962237 0.80 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3298105 0.79 NFE2L2 (0.58) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28741009 0.76 NFE2L2 (0.50) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29824365 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29413981 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28821844 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1384058 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4905475 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL319771 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL96915 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A

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
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 NFE2L2 708/4885GRIN2D 1487/4885GRIN3B 1709/4885

“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.