Hydrochloric Acid

Hydrochloric Acid

SCHEMBL584371

CC[N+](CC)(CC)CCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCC[N+](CC)(CC)CC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.[Cl-].[Cl-]

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.49
STAT1 P42224 1/20 0.49
CHRNA7 P36544 14/20 0.43
CHRNB4 P30926 10/20 0.43
CHRNA3 P32297 10/20 0.43
CHRNA10 Q9GZZ6 7/20 0.42
CHRNA9 Q9UGM1 7/20 0.42
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
TERT O14746 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TOP1 P11387 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL584752 0.99 STAT3 (0.50) STAT3STAT1CHRNA7CHRNB4CHRNA3
SCHEMBL12057391 0.94 STAT3 (0.46) STAT3STAT1CHRNA7CHRNB4CHRNA3
SCHEMBL15693592 0.91 STAT3 (0.45) STAT3STAT1CHRNA7CHRNB4CHRNA3
Exeporfinium SCHEMBL584418 0.90 STAT3 (0.51) STAT3STAT1CHRNA7CHRNB4CHRNA3
Exeporfinium SCHEMBL585997 0.89 STAT3 (0.52) STAT3STAT1CHRNA7CHRNB4CHRNA3
Exeporfinium SCHEMBL5012396 0.88 STAT3 (0.51) STAT3STAT1CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL29648896 0.88 STAT3 (0.48) STAT3STAT1CHRNA7CHRNB4CHRNA3
SCHEMBL13380379 0.87 STAT3 (0.43) STAT3STAT1CHRNA7CHRNB4CHRNA3
SCHEMBL21523873 0.85 STAT3 (0.53) STAT3STAT1TERTCYP1A2CYP3A4
SCHEMBL15673545 0.84 STAT3 (0.46) STAT3STAT1CHRNA7CHRNB4CHRNA3

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 STAT3 529/4885STAT1 176/4885CHRNA7 4878/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH STAT3 2198/4885STAT1 2107/4885CHRNA7 4868/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR STAT3 2340/4885STAT1 1254/4885CHRNA7 4834/4885

“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.