SCHEMBL2596022

SCHEMBL2596022

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
GRM8 O00222 3/20 0.33
GRM4 Q14833 3/20 0.33
GRM6 O15303 2/20 0.33
CTSD P07339 1/20 0.33
PKM P14618 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMAPT
SCHEMBL27897852 0.77 GRM8 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL27897851 0.77 GRM8 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL12184227 0.75 KMT2A (0.39) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL14965493 0.75 CHEK1 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL27915325 0.74 CHEK1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL2595550 0.74 CHEK1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL2589883 0.74 SNCA (0.42) ALDH1A1SMN1; SMN2LMNAMAPTCTSD
SCHEMBL2596244 0.72 SNCA (0.40) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL2595482 0.71 SUV39H2 (0.42) ALDH1A1SMN1; SMN2LMNAMAPT

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 3289/4885SMN1; SMN2 3053/4885LMNA 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.