Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6418329

C[N+](C)(C)CCN1CCN(c2ccc(N)cc2)CCN(c2ccc(N)cc2)CC1.[Cl-]

nearest known ligand 0.60

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 8/20 0.60
KDM4E B2RXH2 5/20 0.60
GFER P55789 4/20 0.60
GAA P10253 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
RAD52 P43351 2/20 0.60
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 2/20 0.56
ADRA2C P18825 1/20 0.56
PTK2B Q14289 1/20 0.56
ESR2 Q92731 1/20 0.56
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP6 P55212 1/20 0.45
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
THRB P10828 2/20 0.44

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 SCHEMBL5707968 0.94 MAPT (0.54) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707929 0.92 MAPT (0.55) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707951 0.91 MAPT (0.57) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707955 0.89 MAPT (0.58) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707957 0.86 KDM4E (0.51) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707941 0.84 KDM4E (0.53) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6419791 0.81 GAA (0.65) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707931 0.80 MAPT (0.48) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL374548 0.80 KDM4E (0.73) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6151559 0.79 GAA (0.67) MAPTKDM4EGFERGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 MAPT 945/4885KDM4E 547/4885GFER 1599/4885

“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.