SCHEMBL2593353

SCHEMBL2593353

COc1cc(CC(Cl)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 7/20 0.51
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
CYP2C19 P33261 2/20 0.47
SIRT6 Q8N6T7 1/20 0.43
NPC1 O15118 4/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
ABCB1 P08183 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL14965261 0.84 TGFBR1 (0.44) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL2596261 0.83 LMNA (0.48) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2596264 0.81 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL29802982 0.81 MAPT (0.65) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL310369 0.81 MAPT (0.65) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL14968882 0.79 GPR119 (0.42) ALDH1A1
SCHEMBL2593352 0.79 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14774799 0.77 KMT2A (0.42) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18970187 0.77 ALDH1A1 (0.52) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL31152722 0.75 DCTPP1 (0.62) MAPTALDH1A1LMNASMN1; SMN2HTT

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 MAPT 1071/4885ALDH1A1 3289/4885LMNA 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.