SCHEMBL2596237

SCHEMBL2596237

COc1cc(CCN(C(=O)OC(C)(C)C)[C@@H](C)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SUV39H2 Q9H5I1 9/20 0.40
ALK Q9UM73 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ABCB1 P08183 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2595482 0.88 SUV39H2 (0.42) ALDH1A1MAPTLMNASUV39H2ALK
SCHEMBL2596258 0.85 LMNA (0.47) ALDH1A1MAPTLMNASUV39H2ALK
SCHEMBL2596022 0.84 ALDH1A1 (0.35) ALDH1A1MAPTLMNA
SCHEMBL2593352 0.79 MAPT (0.49) ALDH1A1MAPTLMNASUV39H2ALK
SCHEMBL14774801 0.79 KMT2A (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2596018 0.77 CHEK1 (0.61)
SCHEMBL14965473 0.76 EPHX2 (0.43) ALDH1A1MAPTLMNASUV39H2
SCHEMBL2596264 0.76 MAPT (0.47) ALDH1A1MAPTLMNASUV39H2ALK
SCHEMBL14965493 0.75 CHEK1 (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2596261 0.74 LMNA (0.48) ALDH1A1MAPTLMNAKMT2AMEN1

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.