Hydrochloric Acid

Hydrochloric Acid

SCHEMBL971391

CCN(CC)c1ccc2nc3ccc(N(CC)CC)cc3[s+]c2c1.[Cl-].[Cl-].[Zn+]

nearest known ligand 0.58

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
TERT O14746 1/20 0.58
L3MBTL1 Q9Y468 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 3/20 0.46
NLRP3 Q96P20 2/20 0.46
BLM P54132 2/20 0.46
USP2 O75604 1/20 0.46
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 9/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 6/20 0.40
HTT P42858 3/20 0.40
RECQL P46063 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 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
SCHEMBL129370 0.96 TERT (0.61) TERTL3MBTL1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL971390 0.95 TERT (0.56) TERTL3MBTL1MEN1KMT2ANPC1
SCHEMBL12532442 0.89 TERT (0.53) TERTL3MBTL1MEN1KMT2ANPC1
SCHEMBL1470931 0.89 TERT (0.53) TERTL3MBTL1MEN1KMT2ANPC1
Iodide SCHEMBL1470324 0.87 TERT (0.51) TERTL3MBTL1MEN1KMT2ANPC1
SCHEMBL129138 0.83 TERT (0.44) TERTL3MBTL1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5144530 0.82 TERT (0.41) TERTL3MBTL1MEN1KMT2ANPC1
Bromide SCHEMBL5791833 0.81 TERT (0.43) TERTL3MBTL1MEN1KMT2ANPC1
SCHEMBL128425 0.81 TERT (0.42) TERTL3MBTL1MEN1KMT2ANPC1
SCHEMBL127217 0.80 TERT (0.42) TERTL3MBTL1MEN1KMT2ANPC1

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
US-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2021-09-14 US disclosed
US-20200268767-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LIMITED (SG) 2020-08-27 US disclosed
EP-3564223-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WisTa Laboratories Ltd. (SG) 2019-11-06 EP disclosed
EP-2322517-B1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LAB LTD (SG) 2019-04-24 EP disclosed
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2018-03-22 US disclosed
US-9801890-B2 Medical methods utilising high purity diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2017-10-31 US disclosed
US-20170209456-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-07-27 US disclosed
US-9555043-B2 High purity diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-01-31 US disclosed
US-20160129009-A1 HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LABORATORIES LTD. (SG) 2016-05-12 US disclosed
US-9242946-B2 High purity diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2016-01-26 US disclosed
EP-1799662-B1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LAB LTD (SG) 2013-04-17 EP disclosed
EP-2322517-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) Wista Laboratories Ltd. (SG) 2011-05-18 EP disclosed
US-20110021510-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LABORATORIES LTD. 2011-01-27 US disclosed
US-7790881-B2 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2010-09-07 US disclosed
US-7737138-B2 Methods of treatment of a tauopathy condition comprising the use of thioninium compounds WISTA LABORATORIES LTD. (SG) 2010-06-15 US disclosed
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) WISTA LABORATORIES LTD. 2008-08-28 US disclosed
EP-1799662-A2 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) Wista Laboratories Ltd. (SG) 2007-06-27 EP disclosed
US-20060287523-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2006-12-21 US disclosed
WO-2006032879-A2 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LABORATORIES LTD. (SG) 2006-03-30 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 (8 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-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds MGMT, MAPT, TST TERT 8/4885L3MBTL1 3969/4885MEN1 205/4885
US-20160129009-A1 HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) MGMT, TST, MAPT TERT 6/4885L3MBTL1 3620/4885MEN1 83/4885
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) MGMT, MAPT, CRBN TERT 10/4885L3MBTL1 1757/4885MEN1 45/4885
US-20170209456-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) MGMT, TST, MAPT TERT 7/4885L3MBTL1 3626/4885MEN1 123/4885
US-20060287523-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) MGMT, MAPT, TST TERT 7/4885L3MBTL1 3570/4885MEN1 128/4885
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST TERT 13/4885L3MBTL1 4142/4885MEN1 240/4885
US-20110021510-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) MGMT, TST, MAPT TERT 11/4885L3MBTL1 3662/4885MEN1 131/4885
US-20200268767-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST TERT 13/4885L3MBTL1 4142/4885MEN1 240/4885

“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.