SCHEMBL2595482

SCHEMBL2595482

COc1cc(CCN(C(=O)OC(C)(C)C)[C@@H](C)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Cl)cc1N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 12/20 0.42
ALK Q9UM73 3/20 0.39
ABCB1 P08183 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL2596237 0.88 ALDH1A1 (0.46) SUV39H2ALKABCB1LMNAMAPT
SCHEMBL2589853 0.84 SMN1; SMN2 (0.43) SUV39H2ALKABCB1SMN1; SMN2HTT
SCHEMBL2596018 0.79 CHEK1 (0.61)
SCHEMBL14965437 0.74 HTR4 (0.41) SUV39H2MAPT
SCHEMBL14965412 0.74 CHEK1 (0.41) SUV39H2SMN1; SMN2LMNA
SCHEMBL2596258 0.72 LMNA (0.47) SUV39H2ALKSMN1; SMN2HTTNPSR1
SCHEMBL1707770 0.71 MAPT (0.57) SUV39H2ALKABCB1SMN1; SMN2LMNA
SCHEMBL15862951 0.71 LMNA (0.54) SUV39H2ALKABCB1SMN1; SMN2LMNA
SCHEMBL2589855 0.71 HTR4 (0.36) SUV39H2
SCHEMBL2596022 0.71 ALDH1A1 (0.35) SMN1; SMN2LMNAMAPTALDH1A1

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 SUV39H2 3312/4885ALK 197/4885ABCB1 752/4885

“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.