SCHEMBL524489

SCHEMBL524489

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.34
EPHX2 P34913 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RRM1 P23921 1/20 0.32
PAOX Q6QHF9 1/20 0.31
TP53 P04637 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31

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
SCHEMBL527539 1.00 DPP7 (0.34) DPP7EPHX2GNAI3GNAO1GNAI1
Trifluoroacetic Acid SCHEMBL8920265 0.92 S1PR1 (0.37) EPHX2ALDH1A1
Trifluoroacetic Acid SCHEMBL8921719 0.92 S1PR1 (0.37) EPHX2ALDH1A1
SCHEMBL526030 0.91 HDAC3 (0.33) DPP7GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8778900 0.91 HDAC3 (0.33) DPP7GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8779144 0.91 HDAC3 (0.33) DPP7GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL528796 0.88 RRM1 (0.35) DPP7GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8778928 0.88 RRM1 (0.35) DPP7GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL526843 0.87 RRM1 (0.35) DPP7GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8778929 0.87 RRM1 (0.35) DPP7GNAI3GNAO1GNAI1ALDH1A1

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 DPP7 292/4885EPHX2 1852/4885GNAI3 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.