SCHEMBL6701780

SCHEMBL6701780

O=[N+]([O-])c1c(O)nc2c(c1O)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.40
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
BPTF Q12830 1/20 0.33
APP P05067 1/20 0.32
BCHE P06276 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.30
S100A4 P26447 1/20 0.30

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
SCHEMBL6956277 0.98 ACHE (0.40) ACHEKMT2AMEN1MAPK1BPTF
SCHEMBL6953068 0.72 ACHE (0.33) ACHE
SCHEMBL28554918 0.70 ESR1 (0.37)
SCHEMBL29606655 0.69 MAPK1 (0.41) ACHEKMT2AMEN1MAPK1BPTF
SCHEMBL7984326 0.69 ACHE (0.32) ACHE
SCHEMBL20681024 0.67 GRIN2D (0.37) KMT2AMEN1KDM4EALDH1A1S100A4
SCHEMBL3728736 0.67 ACHE (0.39) ACHEKMT2AMEN1MAPK1BPTF
SCHEMBL7910360 0.66 PRNP (0.42) ACHEKMT2AMEN1MAPK1BCHE
SCHEMBL15872863 0.64 GPR35 (0.36) ACHEKMT2AMEN1MAPK1CYP1A2
SCHEMBL7012946 0.64 USP2 (0.48) KMT2AMEN1USP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364677-B Imidazo [4,5-C ] pyridine derivatives as TOLL-like receptor agonists 辉瑞公司 2024-07-09 CN disclosed
US-11976064-B2 Toll-like receptor agonists PFIZER INC. (US) 2024-05-07 US disclosed
US-20220274986-A1 TOLL-LIKE RECEPTOR AGONISTS PFIZER INC. (US) 2022-09-01 US disclosed
EP-3999507-A1 IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS TOLL-LIKE RECEPTOR AGONISTS Pfizer Inc. (US) 2022-05-25 EP disclosed
US-11339159-B2 Toll-like receptor agonists PFIZER INC. (US) 2022-05-24 US disclosed
US-11339159-B2 Toll-like receptor agonists PFIZER INC. (US) 2022-05-24 US disclosed
CN-114364677-A Imidazo [4,5-C ] pyridine derivatives as TOLL-like receptor agonists 辉瑞公司 2022-04-15 CN disclosed
WO-2021009676-A1 IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS TOLL-LIKE RECEPTOR AGONSITS PFIZER INC. (US) 2021-01-21 WO disclosed
WO-2021009676-A1 IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS TOLL-LIKE RECEPTOR AGONSITS PFIZER INC. (US) 2021-01-21 WO disclosed
US-20210017172-A1 TOLL-LIKE RECEPTOR AGONISTS PFIZER INC. (US) 2021-01-21 US disclosed
US-20210017172-A1 TOLL-LIKE RECEPTOR AGONISTS PFIZER INC. (US) 2021-01-21 US disclosed
US-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 US disclosed
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US disclosed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (6 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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 ACHE 4670/4885KMT2A 808/4885MEN1 2581/4885
US-11976064-B2 Toll-like receptor agonists TLR3, TLR1, TLR4 ACHE 4885/4885KMT2A 2354/4885MEN1 3828/4885
US-20210017172-A1 TOLL-LIKE RECEPTOR AGONISTS TLR3, TLR1, TLR4 ACHE 4885/4885KMT2A 2354/4885MEN1 3828/4885
US-11339159-B2 Toll-like receptor agonists TLR3, TLR1, TLR4 ACHE 4885/4885KMT2A 2354/4885MEN1 3828/4885
US-20220274986-A1 TOLL-LIKE RECEPTOR AGONISTS TLR3, TLR1, TLR4 ACHE 4885/4885KMT2A 2354/4885MEN1 3828/4885
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 ACHE 4670/4885KMT2A 808/4885MEN1 2581/4885

“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.