SCHEMBL26089650

SCHEMBL26089650

COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(C(=O)O)[C@@H](C)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TXNRD1 Q16881 16/20 0.44
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
JAK2 O60674 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL26089775 1.00 POLB (0.48) POLBTDP1L3MBTL1TXNRD1MAPT
SCHEMBL26087023 0.80 TXNRD1 (0.42) POLBTDP1L3MBTL1TXNRD1MAPT
SCHEMBL2689490 0.78 TDP1 (0.52) POLBTDP1L3MBTL1TXNRD1MAPT
SCHEMBL5753176 0.77 TXNRD1 (0.54) TXNRD1MAPTMAPK1S1PR4S1PR1
SCHEMBL26429449 0.76 TXNRD1 (0.37) POLBTDP1L3MBTL1TXNRD1MAPT
SCHEMBL26429454 0.76 TXNRD1 (0.37) POLBTDP1L3MBTL1TXNRD1MAPT
SCHEMBL5752857 0.76 ALDH1A1 (0.64) POLBTDP1TXNRD1MAPTMAPK1
SCHEMBL2421463 0.76 ALDH1A1 (0.64) POLBTDP1TXNRD1MAPTMAPK1
SCHEMBL5754970 0.75 TXNRD1 (0.48) POLBTDP1L3MBTL1TXNRD1MAPT
SCHEMBL5219253 0.75 TXNRD1 (0.47) POLBTDP1L3MBTL1TXNRD1MAPT

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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 POLB 4490/4885TDP1 2755/4885L3MBTL1 4078/4885

“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.