Hydrochloric Acid

Hydrochloric Acid

SCHEMBL588418

CCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCCCC[N+](C)(C)C)cc4)c4nc(c(-c5ccc(OCCCCC[N+](C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.46

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
▸ CHRM2 known ✓ P08172 1/20 0.39
▸ CHRM1 known ✓ P11229 1/20 0.39
▸ CHRM3 known ✓ P20309 1/20 0.39
▸ SLC6A2 known ✓ P23975 1/20 0.39
▸ SLC6A3 known ✓ Q01959 1/20 0.39
▸ TERT O14746 3/20 0.44
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ TOP1 P11387 2/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MLNR O43193 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADRB2 P07550 1/20 0.39

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
Hydrochloric Acid SCHEMBL2199193 1.00 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2
SCHEMBL12057454 0.99 TERT (0.43) TERTCYP3A4CYP2D6TOP1ENPP2
SCHEMBL12057455 0.99 TERT (0.43) TERTCYP3A4CYP2D6TOP1ENPP2
Hydrochloric Acid SCHEMBL585205 0.98 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2
Hydrochloric Acid SCHEMBL2202699 0.98 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2
Hydrochloric Acid SCHEMBL585437 0.98 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2
Hydrochloric Acid SCHEMBL585452 0.98 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2
Hydrochloric Acid SCHEMBL2197145 0.98 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2
Hydrochloric Acid SCHEMBL585082 0.98 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2
Hydrochloric Acid SCHEMBL586082 0.98 TERT (0.44) TERTCYP3A4CYP2D6TOP1ENPP2

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 9 patents. 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 disclosed
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US disclosed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — 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 CHRM2 2736/4885CHRM1 1754/4885CHRM3 3127/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH CHRM2 2709/4885CHRM1 2458/4885CHRM3 3318/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR CHRM2 1988/4885CHRM1 1911/4885CHRM3 2734/4885

“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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