Hydrochloric Acid

Hydrochloric Acid

SCHEMBL585215

CCCCCCCCCCCOc1ccc(C2=C3C=CC(=N3)C(c3ccc(OCCC[N+](CC)(CC)CC)cc3)=C3C=CC(=N3)C(c3ccc(OCCC[N+](CC)(CC)CC)cc3)=C3C=CC(=N3)C(c3ccc(OCCC[N+](CC)(CC)CC)cc3)=C3C=CC2=N3)cc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.42

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
▸ CHRNA7 P36544 4/20 0.42
▸ CHRNA10 Q9GZZ6 3/20 0.42
▸ CHRNA9 Q9UGM1 3/20 0.42
▸ CYP2D6 P10635 9/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ RARB P10826 3/20 0.40
▸ NR5A1 Q13285 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP19A1 P11511 6/20 0.39
▸ CYP2C9 P11712 6/20 0.39
▸ CYP2C19 P33261 6/20 0.39
▸ CYP1A2 P05177 5/20 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 SCHEMBL2197152 0.89 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL585238 0.89 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL585438 0.89 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL586083 0.89 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL585453 0.89 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL585206 0.89 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL2202701 0.89 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL2199197 0.87 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
Hydrochloric Acid SCHEMBL588419 0.87 CYP2D6 (0.43) CYP2D6CYP3A4RARBNR5A1KDM4E
SCHEMBL585101 0.83 NR5A1 (0.61) CYP2D6CYP3A4RARBNR5A1KDM4E

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 8 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
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 4878/4885CHRNA10 4879/4885CHRNA9 4883/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH CHRNA7 4868/4885CHRNA10 4829/4885CHRNA9 4804/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR CHRNA7 4834/4885CHRNA10 4799/4885CHRNA9 4769/4885

“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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