SCHEMBL525138

SCHEMBL525138

NCCCNCCCCNC(=O)CC(=O)NCCCCCCNC=NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.42
HDAC6 Q9UBN7 1/20 0.40
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
F13A1 P00488 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
THPO P40225 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP2 P42575 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL524787 1.00 PAOX (0.42) PAOXHDAC6CA12CA2CA4
Hydrochloric Acid SCHEMBL9173284 0.98 PAOX (0.41) PAOXHDAC6CA12CA2CA4
Trifluoroacetic Acid SCHEMBL9178577 0.91 HDAC6 (0.46) PAOXHDAC6CA12CA2CA4
Trifluoroacetic Acid SCHEMBL9172135 0.91 HDAC6 (0.46) PAOXHDAC6CA12CA2CA4
SCHEMBL525321 0.89 PAOX (0.44) PAOXHDAC6CA12CA2CA4
SCHEMBL524475 0.89 PAOX (0.44) PAOXHDAC6CA12CA2CA4
SCHEMBL524299 0.88 PAOX (0.38) PAOXHDAC6CA12CA2CA4
SCHEMBL524730 0.88 PAOX (0.38) PAOXHDAC6CA12CA2CA4
SCHEMBL9017329 0.85 FAAH (0.37) PAOXHDAC6CA12CA2CA4
SCHEMBL385625 0.85 FAAH (0.37) PAOXHDAC6CA12CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-5476870-A Immunosuppressants FOURNIER INDUSTRIE ET SANTE (FR) 1995-12-19 US claimed
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 claimed
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 1954/4885HDAC6 533/4885CA12 1403/4885

“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.