Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4714070

O=[N+]([O-])c1ccc(CCC2=NCCN2)cc1.[Cl-].[H+]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ NISCH Q9Y2I1 1/20 0.58
▸ GFER P55789 1/20 0.56
▸ KCNJ1 P48048 2/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ HTR1D P28221 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGIR P43119 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL27650682 0.98 MAOA (0.59) MAOAMAOBNISCHGFERKCNJ1
Hydrochloric Acid SCHEMBL4714075 0.98 MAOA (0.59) MAOAMAOBNISCHGFERKCNJ1
SCHEMBL3721781 0.90 GFER (0.54) MAOAMAOBNISCHGFERKCNJ1
SCHEMBL5827781 0.82 MAOA (0.57) MAOAMAOBNISCHGFERTSHR
Hydrochloric Acid SCHEMBL3060877 0.78 NISCH (0.61) MAOAMAOBNISCHGFER
SCHEMBL27797471 0.77 NISCH (0.63) MAOAMAOBNISCHGFERPTGIR
Hydrochloric Acid SCHEMBL4711894 0.76 MAOA (0.67) MAOAMAOBNISCHGFERHTR1D
SCHEMBL24891637 0.76 PTGIR (0.53) GFERKCNJ1KCNH2HTR1DTSHR
SCHEMBL3292782 0.75 TSHR (0.75) KCNJ1KCNH2TSHRPOLBHRH3
Hydrochloric Acid SCHEMBL4711895 0.74 MAOA (0.69) MAOAMAOBNISCHGFERHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262021-A1 [4-(8-Benzo[1,3]dioxol-5-yl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-acetonitrile; treatment of chronic myeloic leukemia NOVARTIS AG (CH) 2008-10-23 — — US disclosed
EP-1687305-B1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-09 — — EP disclosed
EP-1687305-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2006-08-09 — — EP disclosed
WO-2005054237-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2005-06-16 — — 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 (1 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-20080262021-A1 [4-(8-Benzo[1,3]dioxol-5-yl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-acetonitrile; treatment of chronic myeloic leukemia ABL1, MAP4K2, MAP3K1 MAOA 3059/4885MAOB 3282/4885NISCH 2387/4885

“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.

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