SCHEMBL524729

SCHEMBL524729

N=C(N)NCCCCCCCCNC(=O)CNC(=O)NCCCCNCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PAOX Q6QHF9 3/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
CA1 P00915 2/20 0.40
CA3 P07451 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F13A1 P00488 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL524298 1.00 MAOA (0.44) MAOAMAOBPAOXCA12CA2
Trifluoroacetic Acid SCHEMBL9172174 0.91 HDAC6 (0.45) MAOAMAOBPAOXCA12CA2
Trifluoroacetic Acid SCHEMBL9179852 0.91 HDAC6 (0.45) MAOAMAOBPAOXCA12CA2
SCHEMBL10641540 0.87 SLC6A5 (0.48) MAOAMAOBPAOXCA12CA2
SCHEMBL9689685 0.87 SLC6A5 (0.48) MAOAMAOBPAOXCA12CA2
SCHEMBL525137 0.86 PAOX (0.47) MAOAMAOBPAOXCA12CA2
SCHEMBL524786 0.86 PAOX (0.47) MAOAMAOBPAOXCA12CA2
Hydrochloric Acid SCHEMBL10642172 0.86 SLC6A5 (0.49) MAOAMAOBPAOXCA12CA2
Hydrochloric Acid SCHEMBL9173275 0.84 UBE2N (0.47) MAOAMAOBPAOXCA12CA2
SCHEMBL10641835 0.84 PAOX (0.50) MAOAMAOBPAOXCA12CA2

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 MAOA 1819/4885MAOB 1454/4885PAOX 1954/4885

“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.