SCHEMBL21644472

SCHEMBL21644472

COc1ccc([N+](=O)[O-])cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PDE4B Q07343 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
STS P08842 1/20 0.45
DRD4 P21917 2/20 0.44
GPR119 Q8TDV5 5/20 0.44
SLC2A1 P11166 1/20 0.43
CHEK2 O96017 1/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL19690228 0.95 PDE4B (0.48) ALDH1A1LMNAMAPTPDE4BPDE4A
SCHEMBL4031568 0.89 SCN9A (0.51) ALDH1A1LMNAMAPTPDE4BDRD4
SCHEMBL4369008 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119
SCHEMBL13419611 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119
SCHEMBL15244045 0.87 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPDE4BPDE4A
SCHEMBL450240 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTGPR119
SCHEMBL447502 0.85 RBP4 (0.50) ALDH1A1LMNAMAPTPDE4BGPR119
SCHEMBL446527 0.85 RBP4 (0.50) ALDH1A1LMNAMAPTPDE4BGPR119
SCHEMBL21646134 0.83 DRD4 (0.48) ALDH1A1MAPTPDE4BDRD4
SCHEMBL2735457 0.83 SIGMAR1 (0.60) ALDH1A1LMNAMAPTGPR119CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. (US) 2021-10-12 US disclosed
CN-112996496-A substituted-3H-imidazo [4,5-c ] pyridines and 1H-pyrrolo [2,3-c ] pyridines as novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) and interferon gene Stimulator (STING) modulators for cancer immunotherapy 斯汀格瑞治疗股份有限公司 2021-06-18 CN disclosed
US-20200039979-A1 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. 2020-02-06 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 (2 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-20200039979-A1 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS ALDH1A1 3527/4885LMNA 4554/4885MAPT 4738/4885
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS ALDH1A1 3527/4885LMNA 4554/4885MAPT 4738/4885

“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.