SCHEMBL4134816

SCHEMBL4134816

CO/C=C\c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
P4HB P07237 11/20 0.52
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 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
SCHEMBL4120811 1.00 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL4120803 1.00 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL1687910 0.82 FBP1 (0.65) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL2774364 0.82 FBP1 (0.65) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL27645174 0.81 P4HB (0.48) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL27571094 0.79 FBP1 (0.57) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL29368312 0.79 FBP1 (0.57) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL12228190 0.79 FBP1 (0.57) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL9186668 0.79 FBP1 (0.61) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL21574844 0.79 FBP1 (0.61) FBP1P4HBGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 FBP1 2679/4885P4HB 3041/4885GRIN2D 140/4885

“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.