SCHEMBL29324395

SCHEMBL29324395

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Nc3ncccc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
SIGMAR1 Q99720 5/20 0.49
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
AAK1 Q2M2I8 1/20 0.43
LTA4H P09960 2/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
DRD2 P14416 1/20 0.42
TMEM97 Q5BJF2 2/20 0.42
KCNA3 P22001 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PRKAA2 P54646 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
SCHEMBL30802459 1.00 AKT1 (0.49) AKT1SIGMAR1MAPK1MAPTNPC1
SCHEMBL27227414 0.87 SIGMAR1 (0.44) AKT1SIGMAR1MAPTAAK1PARP1
SCHEMBL27227755 0.87 SIGMAR1 (0.57) SIGMAR1MAPK1MAPTNPC1NFKB1
SCHEMBL30905656 0.86 AAK1 (0.43) AKT1SIGMAR1MAPK1MAPTAAK1
SCHEMBL27227094 0.86 AAK1 (0.43) AKT1SIGMAR1MAPK1MAPTAAK1
SCHEMBL27227030 0.86 PRKAA2 (0.46) AKT1SIGMAR1AAK1PARP1PARP2
SCHEMBL30905662 0.86 PRKAA2 (0.46) AKT1SIGMAR1AAK1PARP1PARP2
SCHEMBL27226835 0.85 SIGMAR1 (0.46) AKT1SIGMAR1MAPK1PARP1PARP2
SCHEMBL30802389 0.85 SIGMAR1 (0.46) AKT1SIGMAR1MAPK1PARP1PARP2
SCHEMBL13600191 0.84 MAPT (0.51) MAPK1MAPTNPC1NFKB1RAB9A

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-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 AKT1 2/4885SIGMAR1 4555/4885MAPK1 124/4885

“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.