SCHEMBL127878

SCHEMBL127878

N#Cc1cccc([CH]O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
FBP1 P09467 3/20 0.51
P4HB P07237 9/20 0.49
ENPP2 Q13822 1/20 0.48
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL2774364 0.82 FBP1 (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1687910 0.82 FBP1 (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2657660 0.80 FBP1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9186668 0.78 FBP1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3216977 0.78 FBP1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1547532 0.78 FBP1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL67236 0.78 FBP1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2657662 0.78 FBP1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21574844 0.78 FBP1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL195319 0.78 FBP1 (0.51) 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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
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 GRIN2D 1487/4885GRIN3B 1709/4885GRIN1 874/4885

“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.