Hydrochloric Acid

Hydrochloric Acid

SCHEMBL710377

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

nearest known ligand 0.64

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
ACHE known ✓ P22303 1/20 0.47
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
HTT P42858 4/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
POLB P06746 2/20 0.64
BLM P54132 2/20 0.64
PPARG P37231 1/20 0.64
NCOA2 Q15596 1/20 0.64
NCOA1 Q15788 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NPC1 O15118 5/20 0.62
MAPT P10636 5/20 0.62
STAT3 P40763 1/20 0.62
APOBEC3A P31941 2/20 0.54
APOBEC3G Q9HC16 2/20 0.54

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 SCHEMBL710378 1.00 MEN1 (0.64) MEN1KMT2ARAB9ASMN1; SMN2HTT
SCHEMBL710605 0.98 MEN1 (0.66) MEN1KMT2ARAB9ASMN1; SMN2HTT
SCHEMBL710606 0.98 MEN1 (0.66) MEN1KMT2ARAB9ASMN1; SMN2HTT
Iodide SCHEMBL8072629 0.97 MEN1 (0.68) MEN1KMT2ARAB9ASMN1; SMN2HTT
Iodide SCHEMBL8072628 0.97 MEN1 (0.68) MEN1KMT2ARAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL711394 0.86 MEN1 (0.55) MEN1KMT2ARAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL711395 0.86 MEN1 (0.55) MEN1KMT2ARAB9ASMN1; SMN2HTT
SCHEMBL712503 0.84 MEN1 (0.56) MEN1KMT2ARAB9ASMN1; SMN2HTT
SCHEMBL712502 0.84 MEN1 (0.56) MEN1KMT2ARAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11551422 0.82 KMT2A (0.95) MEN1KMT2ARAB9ASMN1; SMN2HTT

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 21 patents — showing the first 20. 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
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 US disclosed
WO-2007056340-A2 DISINFECTANT AND ANTISEPTIC PYRIDINIUM AND THIAZOLIUM COMPOUNDS AND METHODS OF USING THE SAME MYCOSOL, INC. (US) 2007-05-18 WO disclosed
EP-1601652-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE Mycosol, Inc. (US) 2005-12-07 EP 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
WO-2004078136-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL, INC. (US) 2004-09-16 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 (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 39/4885MEN1 353/4885KMT2A 1264/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 ACHE 289/4885MEN1 808/4885KMT2A 1155/4885
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects BLVRB, PNPO, PLPBP ACHE 39/4885MEN1 353/4885KMT2A 1264/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT ACHE 226/4885MEN1 2265/4885KMT2A 3654/4885
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts PNPO, PLPBP, TPMT ACHE 226/4885MEN1 2265/4885KMT2A 3654/4885

“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.