Hydrochloric Acid

Hydrochloric Acid

SCHEMBL812960

CCc1cccc(CC)c1NCCCNCCCNc1c(CC)cccc1CC.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.40

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
CHRM2 known ✓ P08172 1/20 0.37
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 2/20 0.40
CACNA1C Q13936 1/20 0.40
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
NSD2 O96028 1/20 0.36
FGB P02675 1/20 0.36
MMP14 P50281 1/20 0.36
CLCN2 P51788 1/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35

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 SCHEMBL813242 0.96 KCNH2 (0.38) KCNH2SCN5ACACNA1CGABRA1GABRB2
Bromide SCHEMBL814263 0.96 KCNH2 (0.40) KCNH2SCN5ACACNA1CGABRA1GABRB2
Bromide SCHEMBL820818 0.93 KCNH2 (0.38) KCNH2SCN5ACACNA1CGABRA1GABRB2
SCHEMBL5839192 0.90 KCNH2 (0.46) KCNH2SCN5ACACNA1CGABRA1GABRB2
Hydrochloric Acid SCHEMBL813388 0.89 SCN5A (0.42) KCNH2SCN5ACACNA1CGABRA1GABRB2
Bromide SCHEMBL813262 0.85 SCN5A (0.42) KCNH2SCN5ACACNA1CGABRA1GABRB2
Hydrochloric Acid SCHEMBL813513 0.85 SCN5A (0.42) KCNH2SCN5ACACNA1CGABRA1GABRB2
Hydrochloric Acid SCHEMBL816113 0.85 SCN5A (0.42) KCNH2SCN5ACACNA1CGABRA1GABRB2
Hydrochloric Acid SCHEMBL814125 0.85 SCN5A (0.42) KCNH2SCN5ACACNA1CGABRA1GABRB2
SCHEMBL813231 0.82 SCN5A (0.43) KCNH2SCN5ACACNA1CGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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 (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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX CHRM2 293/4885KCNH2 1889/4885SCN5A 2784/4885

“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.