SCHEMBL524488

SCHEMBL524488

CC(N)CCNCCCCNC(=O)C(=O)NCCCCCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP7 Q9UHL4 2/20 0.37
ALOX15 P16050 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
RRM1 P23921 1/20 0.35
PAOX Q6QHF9 1/20 0.34
NPY4R P50391 3/20 0.33
NPY1R P25929 2/20 0.33
NPY2R P49146 2/20 0.33
NPY5R Q15761 2/20 0.33
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL527538 1.00 MEN1 (0.39) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
Trifluoroacetic Acid SCHEMBL8920249 0.91 NPY4R (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
Trifluoroacetic Acid SCHEMBL8921713 0.91 NPY4R (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
SCHEMBL526029 0.90 MEN1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
SCHEMBL8779131 0.90 MEN1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
SCHEMBL8778890 0.90 MEN1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
SCHEMBL528795 0.87 RRM1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
SCHEMBL8778913 0.87 RRM1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
SCHEMBL8778917 0.86 RRM1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7
SCHEMBL526842 0.86 RRM1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DPP7

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 4 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-0669316-B1 Analogs of 15-deoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER IND & SANTE (FR) 1997-07-30 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 MEN1 3610/4885CYP1A2 2089/4885KMT2A 4807/4885

“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.