Hydroxychloroquine

Hydroxychloroquine

SCHEMBL236192

CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TLR7TLR9

The experimentally established mechanism targets of Hydroxychloroquine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 known ✓ Q9NR96 1/20 0.98
TLR7 known ✓ Q9NYK1 1/20 0.98
KCNH2 Q12809 3/20 0.98
LMNA P02545 3/20 0.98
CHRM2 P08172 2/20 0.98
CHRM4 P08173 2/20 0.98
CHRM5 P08912 2/20 0.98
ADRA2A P08913 2/20 0.98
CHRM1 P11229 2/20 0.98
ADRA2B P18089 2/20 0.98
ADRA2C P18825 2/20 0.98
CHRM3 P20309 2/20 0.98
TMEM97 Q5BJF2 2/20 0.98
SIGMAR1 Q99720 2/20 0.98
ACE2 Q9BYF1 2/20 0.98
ADRA1D P25100 1/20 0.98
CGAS Q8N884 1/20 0.98
NR4A2 P43354 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
CYP2D6 P10635 2/20 0.84

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
Hydroxychloroquine SCHEMBL6746375 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL29430237 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL30107680 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL8623049 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL9047 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL29359553 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL8170 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL31023589 0.99 CHRM2 (1.00) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL23854335 0.98 CHRM2 (0.98) KCNH2LMNACHRM2CHRM4CHRM5
Hydroxychloroquine SCHEMBL4204503 0.98 CHRM2 (0.98) KCNH2LMNACHRM2CHRM4CHRM5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097593-B1 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2012-01-17 US disclosed
US-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC. (US) 2012-01-05 US disclosed
EP-1572918-B1 SYNTHETIC GLYCO-LIPO-PEPTIDES AS VACCINES ONCOTHYREON INC (US) 2011-10-19 EP disclosed
US-7820627-B2 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2010-10-26 US disclosed
US-7741297-B2 Immunostimulatory, covalently lipidated oligonucleotides ONCOTHYREON INC. (US) 2010-06-22 US disclosed
EP-1549322-B1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC (US) 2010-02-17 EP disclosed
US-20060189550-A1 Immunostimulatory, Covalently lipidated oligonucleotides BIOMIRA INC. (CA) 2006-08-24 US disclosed
EP-1549322-A4 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS BIOMIRA INC (CA) 2006-07-26 EP disclosed
US-20060116331-A1 Glycosylceramide analogues BIOMIRA, INC. (CA) 2006-06-01 US disclosed
US-20060069238-A1 Synthetic glyco-lipo-peptides as vaccines BIOMIRA, INC. (CA) 2006-03-30 US disclosed
EP-1429785-A4 IMUNOGENIC CONJUGATE OF CARBOHYDRATE HAPTENS AND AGGREGATED PROTEIN CARRIER BIOMIRA INC (CA) 2005-12-14 EP disclosed
EP-1572114-A2 GLYCOSYLCERAMIDE ANALOGUES BIOMIRA, INC. (CA) 2005-09-14 EP disclosed
EP-1549322-A2 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS BIOMIRA, INC. (CA) 2005-07-06 EP disclosed
US-20040247608-A1 Imunogenic conjugate of carbohydrate haptens and aggregated protein carrier BIOMIRA INC. (CA) 2004-12-09 US disclosed
EP-1474432-A1 IMMUNOSTIMULATORY, COVALENTLY LIPIDATED OLIGONUCLEOTIDES Biomira Inc. (CA) 2004-11-10 EP disclosed
EP-1429785-A1 IMUNOGENIC CONJUGATE OF CARBOHYDRATE HAPTENS AND AGGREGATED PROTEIN CARRIER BIOMIRA, INC. (CA) 2004-06-23 EP disclosed
WO-2004028475-A2 GLYCOSYLCERAMIDE ANALOGUES BIOMIRA, INC. (CA) 2004-04-08 WO disclosed
WO-2003094850-A2 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS BIOMIRA, INC. (CA) 2003-11-20 WO disclosed
WO-2003066649-A1 IMMUNOSTIMULATORY, COVALENTLY LIPIDATED OLIGONUCLEOTIDES BIOMIRA INC. (CA) 2003-08-14 WO disclosed
WO-2003015796-A1 IMUNOGENIC CONJUGATE OF CARBOHYDRATE HAPTENS AND AGGREGATED PROTEIN CARRIER BIOMIRA, INC. (CA) 2003-02-27 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-20060069238-A1 Synthetic glyco-lipo-peptides as vaccines MUC1, LNPEP, LGALS1 TLR9 384/4885TLR7 811/4885KCNH2 3873/4885
US-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS SELPLG, STT3A, LY96 TLR9 82/4885TLR7 117/4885KCNH2 2921/4885
US-20060189550-A1 Immunostimulatory, Covalently lipidated oligonucleotides TLR9, TLR3, STING1 TLR9 1/4885TLR7 9/4885KCNH2 4591/4885
US-20060116331-A1 Glycosylceramide analogues UGCG, ASAH2, GBA2 TLR9 742/4885TLR7 1127/4885KCNH2 4436/4885

“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.