Hydrochloric Acid

Hydrochloric Acid

SCHEMBL584419

C[N+](C)(C)CCCOc1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3ccc(OCCC[N+](C)(C)C)cc3)=C3C=CC(=N3)C=C3C=CC2=N3)cc1.[Cl-].[Cl-]

nearest known ligand 0.34

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 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31

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
SCHEMBL2327446 0.99 CHRNB4 (0.30) CYP3A4CYP2D6
Bromide SCHEMBL5014264 0.98 — —
Hydrochloric Acid SCHEMBL584372 0.89 CHRNA7 (0.38) CYP3A4CYP2D6CHRNB2CHRNA4
SCHEMBL2331145 0.88 CHRNA7 (0.39) CYP2D6CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL584375 0.87 CHRNB2 (0.33) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL585887 0.87 CYP2D6 (0.39) CYP3A4CYP2D6CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL585264 0.87 LSS (0.36) CYP3A4CYP2D6
SCHEMBL2325507 0.86 CYP1A2 (0.32) CHRNB2CHRNA4
SCHEMBL2328568 0.86 LSS (0.37) CYP3A4CYP2D6
SCHEMBL21523874 0.84 RARB (0.40) CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022180380-A1 COMBINATION OF MUPIROCIN WITH PORPHYRIN-BASED PHOTOSENSITIZERS FOR REDUCING ANTIBIOTIC RESISTANCE EMERGENCE DESTINY PHARMA PLC (GB) 2022-09-01 — — WO claimed
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 — — EP claimed
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US claimed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — US claimed
US-20080281091-A1 Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) BRUNDISH DEREK 2008-11-13 — — US claimed
EP-1963333-A1 PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) Destiny Pharma Limited (GB) 2008-09-03 — — EP claimed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP claimed
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — US claimed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 — — EP claimed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US claimed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US claimed
WO-2007074340-A1 PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) DESTINY PHARMA LIMITED (GB) 2007-07-05 — — WO claimed
EP-1768666-A1 NOVEL USES OF PORPHYRIN COMPOUNDS Destiny Pharma Limited (GB) 2007-04-04 — — EP claimed
WO-2006000765-A1 NOVEL USES DESTINY PHARMA LIMITED (GB) 2006-01-05 — — WO claimed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 — — US claimed
WO-2022180380-A1 COMBINATION OF MUPIROCIN WITH PORPHYRIN-BASED PHOTOSENSITIZERS FOR REDUCING ANTIBIOTIC RESISTANCE EMERGENCE DESTINY PHARMA PLC (GB) 2022-09-01 — — WO disclosed
US-9326511-B2 Methods of inhibiting microbial biofilms DESTINY PHARMA LIMITED (GB) 2016-05-03 — — US disclosed
EP-1578750-A2 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS Destiny Pharma Limited (GB) 2005-09-28 — — EP disclosed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 — — US disclosed
WO-2004056828-A2 NOVEL COMPOUNDS AND USES THEREOF DESTINY PHARMA LIMITED (GB) 2004-07-08 — — 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 (3 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-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX CYP3A4 427/4885CYP2D6 2244/4885CHRNB2 4860/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH CYP3A4 106/4885CYP2D6 148/4885CHRNB2 4789/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR CYP3A4 33/4885CYP2D6 92/4885CHRNB2 4757/4885

“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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