SCHEMBL29675150

SCHEMBL29675150

NC(=O)CCOCCOCCOCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 2/20 0.57
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
HRH3 Q9Y5N1 2/20 0.49
MIF P14174 1/20 0.48
MYC P01106 3/20 0.47
MAX P61244 1/20 0.47
FFAR1 O14842 1/20 0.47
IDO1 P14902 2/20 0.46
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL29675064 0.99 GSTM2 (0.58) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL18924049 0.86 GSTM2 (0.59) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL31580439 0.86 GSTM2 (0.59) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL17748305 0.86 GSTM2 (0.58) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL30892506 0.84 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL30892505 0.84 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL14211653 0.81 GSTM2 (0.56) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL17758327 0.81 GSTM2 (0.53) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL29646213 0.80 GSTM2 (0.57) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL13830198 0.80 GSTM2 (0.54) GSTM2MEN1KMT2AUSP2HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220373-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-07-14 US 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-20220220373-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LPL, LIPA GSTM2 1161/4885MEN1 1304/4885KMT2A 2826/4885

“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.