SCHEMBL524487

SCHEMBL524487

NCCCNCCCCNC(=O)C(O)C(=O)NCCCCCCNC=NN

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 9/20 0.41
PAOX Q6QHF9 1/20 0.40
CHRNB2 P17787 5/20 0.39
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
CHRNA4 P43681 5/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRM1 Q13255 2/20 0.39
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL524329 1.00 GRIA1 (0.41) GRIA1PAOXCHRNB2CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL9180467 0.92 HDAC6 (0.43) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL9182174 0.92 HDAC6 (0.43) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL523782 0.88 GRIA1 (0.40) GRIA1PAOXCHRNB2CHRNB4CHRNA3
SCHEMBL525824 0.88 GRIA1 (0.40) GRIA1PAOXCHRNB2CHRNB4CHRNA3
SCHEMBL525321 0.85 PAOX (0.44) PAOXHDAC6
SCHEMBL524475 0.85 PAOX (0.44) PAOXHDAC6
SCHEMBL8778928 0.84 RRM1 (0.35) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9017360 0.84 GRIA1 (0.41) GRIA1PAOXCHRNB2CHRNB4CHRNA3
SCHEMBL526872 0.84 GRIA1 (0.41) GRIA1PAOXCHRNB2CHRNB4CHRNA3

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-20130190278-A1 Compounds for the Treatment/Prevention of Ocular Inflammatory Diseases LABORATOIRES FOURNIER SA (FR) 2013-07-25 US disclosed
EP-2598131-A1 COMPOUNDS FOR THE TREATMENT/PREVENTION OF OCULAR INFLAMMATORY DISEASES Laboratoires Fournier S.A. (FR) 2013-06-05 EP disclosed
WO-2012013884-A1 COMPOUNDS FOR THE TREATMENT/PREVENTION OF OCULAR INFLAMMATORY DISEASES LABORATOIRES FOURNIER SA (FR) 2012-02-02 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 (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-20130190278-A1 Compounds for the Treatment/Prevention of Ocular Inflammatory Diseases TNF, NFKBIA, ALDH1A2 GRIA1 2246/4885PAOX 1954/4885CHRNB2 3567/4885

“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.