SCHEMBL2589853

SCHEMBL2589853

COc1cc(CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)OC(C)(C)C)c(Cl)cc1N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SUV39H2 Q9H5I1 10/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
ALK Q9UM73 2/20 0.40
ABCB1 P08183 1/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2596258 0.88 LMNA (0.47) SMN1; SMN2HTTNPSR1LMNAMAPT
SCHEMBL2595482 0.84 SUV39H2 (0.42) SMN1; SMN2HTTNPSR1LMNAMAPT
SCHEMBL2589855 0.84 HTR4 (0.36) SUV39H2P2RX7
SCHEMBL14774801 0.81 KMT2A (0.41) SMN1; SMN2HTTLMNAMAPTMEN1
SCHEMBL14965437 0.81 HTR4 (0.41) MAPTSUV39H2
SCHEMBL2589950 0.79 CHEK1 (0.63)
SCHEMBL2595369 0.77 LPAR1 (0.39) MAPTALDH1A1
SCHEMBL14968865 0.74 HTR4 (0.41) MEN1KMT2AALDH1A1
SCHEMBL2596237 0.72 ALDH1A1 (0.46) LMNAMAPTSUV39H2MEN1KMT2A
SCHEMBL1707770 0.72 MAPT (0.57) SMN1; SMN2LMNAMAPTSUV39H2MEN1

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 SMN1; SMN2 3053/4885HTT 1273/4885NPSR1 1778/4885

“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.