SCHEMBL2589882

SCHEMBL2589882

COC(=O)C(C(=O)OC)c1cc(OC)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 2/20 0.47
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
RAF1 P04049 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL14761996 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2589931 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25449776 0.84 ALDH1A1 (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8769251 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3353890 0.80 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9281533 0.80 TDP1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL26685309 0.78 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10983166 0.77 LMNA (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3354328 0.76 LMNA (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL15059313 0.76 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A

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-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E ALDH1A1 3289/4885MAPT 1071/4885LMNA 3049/4885

“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.