SCHEMBL29708145

SCHEMBL29708145

COc1nsc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ATM Q13315 1/20 0.46
MGLL Q99685 2/20 0.45
MAPT P10636 7/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
SCD O00767 2/20 0.44
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
BCL9 O00512 1/20 0.41

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
SCHEMBL20971726 0.85 MGLL (0.47) GAAATMMGLLMAPTKMT2A
SCHEMBL15077769 0.82 ALDH1A1 (0.53) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8568807 0.79 MGLL (0.44) GAAATMMGLLMAPTKMT2A
SCHEMBL8574324 0.78 MGLL (0.43) GAAATMMGLLMAPTKMT2A
SCHEMBL538117 0.73 MAPT (0.59) GAAMGLLMAPTKMT2AMEN1
SCHEMBL3062188 0.73 LMNA (0.66) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1912722 0.72 MAPT (0.53) GAAMGLLMAPTKMT2AMEN1
SCHEMBL3062186 0.72 MGLL (0.45) GAAATMMGLLMAPTKMT2A
SCHEMBL3573967 0.72 MAPT (0.66) GAAATMMGLLMAPTKMT2A
SCHEMBL594516 0.71 SCD (0.69) GAAMAPTKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768272-B1 JAK INHIBITORS LIAO XIBIN (US) 2025-07-30 EP disclosed
US-11365188-B2 JAK inhibitors LIAO XIBIN (US) 2022-06-21 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-11365188-B2 JAK inhibitors JAK1, JAK2, JAK3 GAA 3844/4885ATM 384/4885MGLL 2902/4885

“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.