SCHEMBL2530772

SCHEMBL2530772

CN(CC(c1ccc(OC(=O)c2ccccc2Cl)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AURKA O14965 3/20 0.35
RPS6KB1 P23443 3/20 0.35
FFAR1 O14842 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GPR88 Q9GZN0 1/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 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
SCHEMBL2531263 0.91 FFAR1 (0.35) AURKARPS6KB1FFAR1GPR88MAPT
SCHEMBL2527048 0.91 AURKA (0.35) KMT2ASMN1; SMN2TDP1AURKARPS6KB1
SCHEMBL2526887 0.90 NR1H4 (0.39) KMT2ASMN1; SMN2AURKARPS6KB1FFAR1
SCHEMBL2533255 0.90 AURKA (0.35) TDP1AURKARPS6KB1FFAR1ALDH1A1
SCHEMBL2530359 0.90 KMT2A (0.37) KMT2APOLBAURKARPS6KB1ALDH1A1
SCHEMBL2531074 0.90 AURKA (0.35) KMT2ATDP1AURKARPS6KB1ALDH1A1
SCHEMBL2527508 0.89 HPGD (0.45) KMT2AAURKARPS6KB1FFAR1MEN1
SCHEMBL2527399 0.89 SLC6A2 (0.41) KMT2ASMN1; SMN2TDP1AURKARPS6KB1
SCHEMBL2526950 0.89 KMT2A (0.35) KMT2ASMN1; SMN2AURKARPS6KB1FFAR1
SCHEMBL2529414 0.89 AURKA (0.38) TDP1AURKARPS6KB1ALDH1A1GPR88

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 KMT2A 2317/4885POLB 4628/4885SMN1; SMN2 1884/4885

“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.