Hydrochloric Acid

Hydrochloric Acid

SCHEMBL584372

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

nearest known ligand 0.38

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 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 19/20 0.38
▸ CHRNB4 P30926 14/20 0.38
▸ CHRNA3 P32297 14/20 0.38
▸ CHRNB2 P17787 7/20 0.38
▸ CHRNA4 P43681 7/20 0.38
▸ CHRNA10 Q9GZZ6 7/20 0.35
▸ CHRNA9 Q9UGM1 7/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL2331145 0.99 CHRNA7 (0.39) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL584419 0.89 CYP3A4 (0.32) CHRNB2CHRNA4CYP3A4CYP2D6
SCHEMBL2327446 0.88 CHRNB4 (0.30) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
Bromide SCHEMBL5014264 0.87 — —
SCHEMBL21523874 0.84 RARB (0.40) CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL585264 0.83 LSS (0.36) CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27856205 0.83 RARB (0.38) CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL585215 0.82 CHRNA7 (0.42) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL585087 0.82 — —
SCHEMBL2328568 0.82 LSS (0.37) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US disclosed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP disclosed
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — US disclosed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 — — 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
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 — — US 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 CHRNA7 4878/4885CHRNB4 4709/4885CHRNA3 4758/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH CHRNA7 4868/4885CHRNB4 4755/4885CHRNA3 4760/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR CHRNA7 4834/4885CHRNB4 4531/4885CHRNA3 4476/4885

“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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