Hydrochloric Acid

Hydrochloric Acid

SCHEMBL584375

C[N+](C)(C)CCCOc1cccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3cccc(OCCC[N+](C)(C)C)c3)=C3C=CC(=N3)C=C3C=CC2=N3)c1.[Cl-].[Cl-]

nearest known ligand 0.33

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 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL2325507 0.99 CYP1A2 (0.32) CHRNB2CHRNA4CYP1A2CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL588718 0.89 CYP1A2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2360345 0.88 CYP1A2 (0.32) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL584419 0.87 CYP3A4 (0.32) CHRNB2CHRNA4
SCHEMBL2327446 0.86 CHRNB4 (0.30) —
SCHEMBL1854878 0.85 PDE2A (0.37) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL585273 0.85 MAOA (0.34) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Bromide SCHEMBL5014264 0.85 — —
Dimethylamine SCHEMBL1861764 0.83 KDM4E (0.38) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4745597 0.82 GRM5 (0.35) CYP1A2CYP2C19

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 28 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
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP 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
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-2355816-B1 PORPHYRIN COMPOUNDS FOR KILLING, INHIBITING OR PREVENTING THE GROWTH OF MICROBIAL BIOFILMS DESTINY PHARMA LTD (GB) 2014-05-14 — — EP disclosed
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 — — EP disclosed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — 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 (2 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 CHRNB2 4860/4885CHRNA4 4729/4885CYP1A2 1592/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH CHRNB2 4789/4885CHRNA4 4739/4885CYP1A2 62/4885

“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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