Hydrochloric Acid

Hydrochloric Acid

SCHEMBL583840

CCCCCCCCCCCc1c2nc(cc3ccc([nH]3)c(-c3cc(OCCC[N+](C)(C)C)cc(OCCC[N+](C)(C)C)c3)c3nc(cc4ccc1[nH]4)C=C3)C=C2.[Cl-].[Cl-]

nearest known ligand 0.40

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 9)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ TERT O14746 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
SCHEMBL585880 0.99 STAT3 (0.41) STAT3STAT1CCNB2CDK1CCNB1
SCHEMBL10084843 0.98 STAT3 (0.40) STAT3STAT1CCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL588717 0.92 STAT3 (0.41) STAT3STAT1TERT
SCHEMBL585139 0.91 STAT3 (0.41) STAT3STAT1
SCHEMBL14459908 0.90 STAT3 (0.42) STAT3STAT1TERT
SCHEMBL15693593 0.88 STAT3 (0.40) STAT3STAT1CCNB2CDK1CCNB1
SCHEMBL585368 0.86 STAT3 (0.45) STAT3STAT1CCNB2CDK1CCNB1
SCHEMBL29395084 0.86 STAT3 (0.50) STAT3STAT1TERT
SCHEMBL12066656 0.85 STAT3 (0.48) STAT3STAT1TERT
SCHEMBL28879055 0.85 STAT3 (0.49) STAT3STAT1TERT

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 23 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
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
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
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
US-20110262511-A1 Novel Uses DESTINY PHARMA LIMITED (GB) 2011-10-27 — — 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
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 (4 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-20110262511-A1 Novel Uses XDH, F12, ZFX STAT3 2084/4885STAT1 1133/4885CCNB2 924/4885
US-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX STAT3 529/4885STAT1 176/4885CCNB2 311/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH STAT3 2198/4885STAT1 2107/4885CCNB2 1453/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR STAT3 2340/4885STAT1 1254/4885CCNB2 935/4885

“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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