SCHEMBL21644501

SCHEMBL21644501

COc1ccc([N+](=O)[O-])cc1N1CCC(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
PDE5A O76074 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR6 P50406 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2075289 0.90 ALDH1A1 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL3255238 0.86 TDP1 (0.66) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL4865184 0.82 HTR6 (0.62) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2074082 0.82 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2074086 0.82 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL282269 0.82 HTR6 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL6978795 0.82 TDP1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL3257879 0.81 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2HTTTDP1
SCHEMBL520263 0.81 SLC6A5 (0.61) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL283237 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1

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 8 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
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
EP-3829561-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. (US) 2021-06-09 EP 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
WO-2020028724-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. (US) 2020-02-06 WO 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
WO-2020028724-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. (US) 2020-02-06 WO 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.