Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2776368

O=C(C[n+]1ccsc1)c1ccccc1.[Cl-]

nearest known ligand 0.94

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
ALDH1A1 P00352 6/20 0.94
KMT2A Q03164 7/20 0.57
MEN1 O00255 4/20 0.57
RAB9A P51151 1/20 0.53
PABPC1 P11940 2/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.44
MITF O75030 1/20 0.44
NR2F2 P24468 1/20 0.44
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL1444452 0.98 ALDH1A1 (0.97) ALDH1A1KMT2AMEN1RAB9APABPC1
Bromide SCHEMBL7402288 0.97 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1RAB9APABPC1
Bromide SCHEMBL122633 0.97 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1RAB9APABPC1
Bromide SCHEMBL28819589 0.97 ALDH1A1 (0.94) ALDH1A1KMT2AMEN1RAB9APABPC1
Bromide SCHEMBL7402285 0.95 ALDH1A1 (0.97) ALDH1A1KMT2AMEN1RAB9APABPC1
Pyridine SCHEMBL2361689 0.91 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1RAB9APABPC1
Bromide SCHEMBL3854856 0.88 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1RAB9APABPC1
SCHEMBL7074123 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1RAB9APABPC1
SCHEMBL6936032 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1RAB9APABPC1
SCHEMBL6935140 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1PABPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475757-A2 PREVENTION OF BODY ODOUR Henkel AG & Co. KGaA (DE) 2012-07-18 EP claimed
US-20120164097-A1 PREVENTION OF BODY ODOUR HENKEL AG & CO. KGAA (DE) 2012-06-28 US claimed
WO-2011029688-A2 PREVENTION OF BODY ODOUR HENKEL AG & CO. KGAA (DE) 2011-03-17 WO claimed
WO-2010031657-A2 USE OF UREA DERIVATIVES AND PHENACYLTHIAZOLIUM SALTS FOR THE TREATMENT OF BODY ODOUR HENKEL AG & CO. KGAA (DE) 2010-03-25 WO claimed
US-9217222-B2 Prevention of body odour HENKEL AG & CO. KGAA (DE) 2015-12-22 US disclosed
EP-2475757-A2 PREVENTION OF BODY ODOUR Henkel AG & Co. KGaA (DE) 2012-07-18 EP disclosed
US-20120164097-A1 PREVENTION OF BODY ODOUR HENKEL AG & CO. KGAA (DE) 2012-06-28 US disclosed
WO-2011029688-A2 PREVENTION OF BODY ODOUR HENKEL AG & CO. KGAA (DE) 2011-03-17 WO disclosed
WO-2010031657-A2 USE OF UREA DERIVATIVES AND PHENACYLTHIAZOLIUM SALTS FOR THE TREATMENT OF BODY ODOUR HENKEL AG & CO. KGAA (DE) 2010-03-25 WO disclosed
US-7511036-B2 Dihydrothiazine prodrugs of thiazolium agents SYNVISTA THERAPEUTICS, INC. (US) 2009-03-31 US disclosed
US-20070054901-A1 Dihydrothiazine prodrugs of thiazolium agents SYNVISTA THERAPEUTICS, INC. 2007-03-08 US disclosed
EP-1622885-A2 DIHYDROTHIAZINE PRODRUGS OF THIAZOLIUM AGENTS ALTEON, INC. (US) 2006-02-08 EP disclosed
US-20050014747-A1 Dihydrothiazine prodrugs of thiazolium agents ALTEON INC. 2005-01-20 US disclosed
WO-2004094396-A2 DIHYDROTHIAZINE PRODRUGS OF THIAZOLIUM AGENTS ALTEON, INC. (US) 2004-11-04 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 (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-20050014747-A1 Dihydrothiazine prodrugs of thiazolium agents DHPS, HRH4, CYP8B1 ALDH1A1 439/4885KMT2A 822/4885MEN1 339/4885
US-20070054901-A1 Dihydrothiazine prodrugs of thiazolium agents DHPS, HRH4, CYP8B1 ALDH1A1 439/4885KMT2A 822/4885MEN1 339/4885
US-20120164097-A1 PREVENTION OF BODY ODOUR CUTA, NOTUM, SLC14A1 ALDH1A1 642/4885KMT2A 3258/4885MEN1 2867/4885

“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.