Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5559797

CC(C)c1ccc(C[n+]2cc(-c3ccccc3)cc(N3CCOCC3)n2)cc1.[Cl-]

nearest known ligand 0.41

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
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MTOR P42345 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.37

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 SCHEMBL5565412 0.88 ALDH1A1 (0.47) MAPTALDH1A1MAPK1HTTKDM4E
Bromide SCHEMBL5565800 0.86 HTT (0.48) MAPTALDH1A1MAPK1HTTKDM4E
Bromide SCHEMBL5559706 0.86 MAPT (0.46) MAPTALDH1A1MAPK1HTTKDM4E
Hydrochloric Acid SCHEMBL5564730 0.85 ALDH1A1 (0.45) MAPTALDH1A1HTTKDM4EGAA
Bromide SCHEMBL5565101 0.84 HTT (0.43) MAPTALDH1A1MAPK1HTTKDM4E
Bromide SCHEMBL5560418 0.84 HTT (0.43) MAPTALDH1A1MAPK1HTTKDM4E
Bromide SCHEMBL5560141 0.83 MAPT (0.41) MAPTALDH1A1MAPK1HTTKDM4E
Bromide SCHEMBL5564744 0.83 CNR2 (0.44) MAPTALDH1A1MAPK1HTTKDM4E
SCHEMBL6017175 0.82 CNR2 (0.47) MAPTALDH1A1MAPK1HTTKDM4E
Hydrochloric Acid SCHEMBL5565934 0.81 PRMT5 (0.48) MAPTALDH1A1MAPK1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300932-B2 Pyrrolo[1,2-b]pyridazine derivatives JAPAN TOBACCO INC. (JP) 2007-11-27 US disclosed
EP-1653969-A4 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC (JP) 2006-12-20 EP disclosed
EP-1653969-A2 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES Japan Tabacco Inc. (JP) 2006-05-10 EP disclosed
US-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism TULARIK INC. (US) 2005-03-31 US disclosed
WO-2005013907-A2 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC. (JP) 2005-02-17 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 (1 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-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism PC, ACACB, ACAT1 MAPT 2498/4885ALDH1A1 978/4885MAPK1 961/4885

“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.