SCHEMBL3772642

SCHEMBL3772642

COc1ccc(N)c([N+](=O)[O-])n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TXNRD1 Q16881 16/20 0.45
TDP1 Q9NUW8 1/20 0.45
S1PR4 O95977 2/20 0.42
MAPT P10636 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GSR P00390 2/20 0.40

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
SCHEMBL31489882 0.79 TXNRD1 (0.45) HTTTXNRD1S1PR4MAPTS1PR1
SCHEMBL6027123 0.77 TXNRD1 (0.51) HTTTXNRD1S1PR4MAPTS1PR1
SCHEMBL1922830 0.76 TDP1 (0.41) HTTTDP1MAPT
SCHEMBL336303 0.75 TXNRD1 (0.56) HTTTXNRD1S1PR4MAPTS1PR1
SCHEMBL31056308 0.75 TXNRD1 (0.56) HTTTXNRD1S1PR4MAPTS1PR1
SCHEMBL109187 0.75 ALDH1A1 (0.41) HTTTDP1MAPT
SCHEMBL30078658 0.75 ALDH1A1 (0.41) HTTTDP1MAPT
SCHEMBL27723339 0.73 ALDH1A1 (0.46) TDP1MAPT
SCHEMBL17513283 0.72 ALDH1A1 (0.39) HTTTDP1MAPT
SCHEMBL31288050 0.72 S1PR4 (0.44) TXNRD1TDP1S1PR4MAPTGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 US disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 EP disclosed
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 US disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 EP disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 CN disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 WO disclosed
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
WO-2008036201-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 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 (4 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-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ABCB11, ATP6AP1, CYP4B1 HTT 2271/4885TXNRD1 3659/4885TDP1 3010/4885
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 HTT 3298/4885TXNRD1 1552/4885TDP1 153/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 HTT 3278/4885TXNRD1 1600/4885TDP1 139/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 HTT 3278/4885TXNRD1 1600/4885TDP1 139/4885

“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.