Hydrochloric Acid

Hydrochloric Acid

SCHEMBL712985

C[n+]1c(/C=C/c2ccc(N3CCCC3)cc2)cccc1/C=C/c1ccc(N2CCCC2)cc1.[Cl-]

nearest known ligand 0.53

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 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 4/20 0.52
▸ SNCA P37840 1/20 0.53
▸ MAPT P10636 6/20 0.50
▸ APP P05067 3/20 0.50
▸ PTGS2 P35354 2/20 0.47
▸ TRIM24 O15164 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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 SCHEMBL3451810 1.00 SNCA (0.53) SNCAACHEMAPTAPPPTGS2
SCHEMBL14536918 0.98 SNCA (0.54) SNCAACHEMAPTAPPPTGS2
SCHEMBL10069282 0.86 ACHE (0.68) SNCAACHEMAPTAPPALDH1A1
SCHEMBL10069285 0.86 ACHE (0.68) SNCAACHEMAPTALDH1A1KDM4E
Stilbazium SCHEMBL710325 0.84 MAPT (0.44) SNCAACHEMAPTAPPPTGS2
Stilbazium SCHEMBL710326 0.84 MAPT (0.44) SNCAACHEMAPTAPPPTGS2
Stilbazium SCHEMBL6446924 0.82 MAPT (0.46) SNCAACHEMAPTAPPPTGS2
Iodide SCHEMBL7644264 0.82 RAB9A (0.55) SNCAACHEMAPTAPPPTGS2
Stilbazium SCHEMBL636481 0.81 SNCA (0.47) SNCAACHEMAPTAPPPTGS2
Stilbazium SCHEMBL636482 0.81 SNCA (0.47) SNCAACHEMAPTAPPPTGS2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4742028-B2 — — 2011-08-10 — — JP claimed
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US claimed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US claimed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — US claimed
WO-2007056340-A2 DISINFECTANT AND ANTISEPTIC PYRIDINIUM AND THIAZOLIUM COMPOUNDS AND METHODS OF USING THE SAME MYCOSOL, INC. (US) 2007-05-18 — — WO claimed
EP-1601652-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE Mycosol, Inc. (US) 2005-12-07 — — EP claimed
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. 2004-11-25 — — US claimed
WO-2004078136-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL, INC. (US) 2004-09-16 — — WO claimed
US-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 — — US disclosed
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US disclosed
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 — — US disclosed
US-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — US disclosed
EP-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 — — EP disclosed
WO-2008088917-A2 METHODS OF USING PYRIDINIUM AND THIAZOLIUM COMPOUNDS AS REAGENTS, DIAGNOSTIC COMPOUNDS AND THERAPEUTIC AGENTS MYCOSOL, INC. (US) 2008-07-24 — — WO disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — US disclosed
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. 2004-11-25 — — US disclosed
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. 2004-11-11 — — 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 (5 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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP ACHE 39/4885SNCA 2090/4885MAPT 1618/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 ACHE 289/4885SNCA 2194/4885MAPT 1062/4885
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects BLVRB, PNPO, PLPBP ACHE 39/4885SNCA 2090/4885MAPT 1618/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT ACHE 226/4885SNCA 2613/4885MAPT 2157/4885
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts PNPO, PLPBP, TPMT ACHE 226/4885SNCA 2613/4885MAPT 2157/4885

“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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