SCHEMBL2531963

SCHEMBL2531963

CN(CC(c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MAPT P10636 10/20 0.43
TDP1 Q9NUW8 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 4/20 0.38
ALOX12 P18054 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
ALOX5 P09917 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2526861 0.93 ALOX5 (0.43) AURKARPS6KB1MAPTTDP1GAA
SCHEMBL2533062 0.91 PKM (0.39) AURKARPS6KB1MAPTGAASMN1; SMN2
SCHEMBL2527380 0.88 KMT2A (0.37) AURKARPS6KB1MAPTTDP1GAA
SCHEMBL2528486 0.88 ESR1 (0.39) AURKARPS6KB1RAB9ANPC1NPSR1
SCHEMBL2527399 0.88 SLC6A2 (0.41) AURKARPS6KB1MAPTTDP1SMN1; SMN2
SCHEMBL2531611 0.88 KDM4E (0.39) AURKARPS6KB1MAPTKDM4ERAB9A
SCHEMBL2528934 0.88 ESR1 (0.39) AURKARPS6KB1MAPTGAALMNA
SCHEMBL2528152 0.87 AURKA (0.36) AURKARPS6KB1MAPTTDP1SMN1; SMN2
SCHEMBL2525027 0.87 MAPT (0.41) AURKARPS6KB1MAPTTDP1SMN1; SMN2
SCHEMBL2528696 0.86 SMN1; SMN2 (0.37) AURKARPS6KB1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 AURKA 2197/4885RPS6KB1 1424/4885MAPT 2834/4885

“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.