SCHEMBL524730

SCHEMBL524730

NCCCNCCCCNC(=O)NCC(=O)NCCCCCCCCNC=NN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.38
SLC6A5 Q9Y345 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
GRIA1 P42261 2/20 0.35
GRIA3 P42263 1/20 0.35
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA5B Q9Y2D0 3/20 0.35
CA1 P00915 2/20 0.35
CA3 P07451 2/20 0.35
PRMT1 Q99873 1/20 0.35
F13A1 P00488 2/20 0.34

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
SCHEMBL524299 1.00 PAOX (0.38) PAOXSLC6A5MAOAMAOBHDAC6
Trifluoroacetic Acid SCHEMBL9172179 0.92 HDAC6 (0.41) PAOXSLC6A5HDAC6GRIA1GRIA3
Trifluoroacetic Acid SCHEMBL9179857 0.92 HDAC6 (0.41) PAOXSLC6A5HDAC6GRIA1GRIA3
SCHEMBL524787 0.88 PAOX (0.42) PAOXSLC6A5MAOAMAOBHDAC6
SCHEMBL525138 0.88 PAOX (0.42) PAOXSLC6A5MAOAMAOBHDAC6
Hydrochloric Acid SCHEMBL9173284 0.86 PAOX (0.41) PAOXSLC6A5HDAC6CA12CA2
SCHEMBL8412139 0.84 EPHX2 (0.38) PAOXSLC6A5
SCHEMBL15124103 0.84 EPHX2 (0.33) PRMT1
SCHEMBL524547 0.84 EPHX2 (0.33) PRMT1
SCHEMBL525321 0.83 PAOX (0.44) PAOXMAOAMAOBHDAC6CA12

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-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
EP-0600762-B1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER IND & SANTE (FR) 1996-07-10 EP disclosed
EP-0600762-A1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER INDUSTRIE ET SANTE (FR) 1994-06-08 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-20130190278-A1 Compounds for the Treatment/Prevention of Ocular Inflammatory Diseases TNF, NFKBIA, ALDH1A2 PAOX 1954/4885SLC6A5 3900/4885MAOA 1819/4885

“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.