SCHEMBL2596258

SCHEMBL2596258

COc1cc(CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)OC(C)(C)C)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SUV39H2 Q9H5I1 7/20 0.41
MEN1 O00255 2/20 0.39
ALK Q9UM73 2/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL14774801 0.94 KMT2A (0.41) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2589853 0.88 SMN1; SMN2 (0.43) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2596237 0.85 ALDH1A1 (0.46) LMNAMAPTALDH1A1KMT2ASUV39H2
SCHEMBL2589883 0.84 SNCA (0.42) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2593352 0.84 MAPT (0.49) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL14965473 0.82 EPHX2 (0.43) LMNAMAPTALDH1A1SUV39H2
SCHEMBL2596244 0.79 SNCA (0.40) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2596264 0.78 MAPT (0.47) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2596261 0.77 LMNA (0.48) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2589950 0.76 CHEK1 (0.63)

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 LMNA 3049/4885MAPT 1071/4885ALDH1A1 3289/4885

“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.