SCHEMBL8778913

SCHEMBL8778913

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 1/20 0.34
ALOX15 P16050 1/20 0.34
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
S1PR2 O95136 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL528795 1.00 RRM1 (0.38) RRM1DPP7GNAI3GNAO1GNAI1
Trifluoroacetic Acid SCHEMBL8924641 0.92 S1PR1 (0.40) RRM1DPP7GNAI3GNAO1GNAI1
Trifluoroacetic Acid SCHEMBL8919599 0.92 S1PR1 (0.40) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL8778917 0.88 RRM1 (0.38) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL526842 0.88 RRM1 (0.38) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL524488 0.87 MEN1 (0.39) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL527538 0.87 MEN1 (0.39) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL526029 0.86 MEN1 (0.38) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL8779131 0.86 MEN1 (0.38) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL8778890 0.86 MEN1 (0.38) RRM1DPP7GNAI3GNAO1GNAI1

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-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
EP-0669316-A1 Analogs of 15-déoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER INDUSTRIE ET SANTE (FR) 1995-08-30 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 RRM1 3467/4885DPP7 292/4885GNAI3 2308/4885

“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.