Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3249113

CC(C)(CC[N+]1(C)CCCCCC1)NC(=O)OCc1ccccc1.[Cl-]

nearest known ligand 0.44

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 0.41
CHRM1 known ✓ P11229 1/20 0.41
CHRM3 known ✓ P20309 1/20 0.41
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CTSS P25774 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL12852863 0.99 KMT2A (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL12852925 0.99 KMT2A (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
Iodide SCHEMBL2188409 0.98 ALDH1A1 (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL12852934 0.98 KMT2A (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
Iodide SCHEMBL2189547 0.96 KMT2A (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2185842 0.89 MEN1 (0.43) KMT2ASMN1; SMN2MEN1APOBEC3AAPOBEC3G
SCHEMBL12852918 0.88 MEN1 (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1APOBEC3A
SCHEMBL12852923 0.86 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
Iodide SCHEMBL2213527 0.85 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL12852803 0.84 ALDH1A1 (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO CHRM2 3119/4885CHRM1 2884/4885CHRM3 2781/4885

“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.