SCHEMBL2589883

SCHEMBL2589883

COc1cc(CCN(Cc2ccc(F)cc2)C(=O)OC(C)(C)C)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.42
NR1D1 P20393 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL2596244 0.91 SNCA (0.40) SNCASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL14774801 0.84 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL2596258 0.84 LMNA (0.47) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL2589901 0.83 NR1D1 (0.41) NR1D1ALDH1A1MAPTLMNAKMT2A
SCHEMBL17287297 0.79 SNCA (0.48) SNCASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL2596243 0.77 GRM2 (0.39) KCNQ4KCNQ5NR1H4
SCHEMBL12184227 0.76 KMT2A (0.39) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL2595555 0.76 NR1D1 (0.43) NR1D1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL2595369 0.76 LPAR1 (0.39) ALDH1A1MAPTKDM4ETDP1
SCHEMBL14968763 0.75 EPHX2 (0.38) NR1D1SMN1; SMN2ALDH1A1MAPTLMNA

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 SNCA 3519/4885NR1D1 791/4885SMN1; SMN2 3053/4885

“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.