SCHEMBL2596261

SCHEMBL2596261

COc1cc(CC(Cl)N(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
SIRT6 Q8N6T7 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
MET P08581 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 1/20 0.39
P2RX7 Q99572 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 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
SCHEMBL14774799 0.94 KMT2A (0.42) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL14965475 0.84 NR1D1 (0.41) LMNAMAPTALDH1A1KDM4EMAPK1
SCHEMBL2589887 0.83 SNCA (0.41) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2593353 0.83 MAPT (0.51) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL29802982 0.79 MAPT (0.65) LMNAMAPTALDH1A1KMT2ASIRT6
SCHEMBL310369 0.79 MAPT (0.65) LMNAMAPTALDH1A1KMT2ASIRT6
SCHEMBL2596248 0.79 SNCA (0.39) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL2596258 0.77 LMNA (0.47) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2589949 0.76 CHEK1 (0.57)
SCHEMBL18970187 0.75 ALDH1A1 (0.52) LMNAMAPTALDH1A1KMT2ASMN1; SMN2

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.