Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4101722

COc1cc2c(cc1OC)C(c1ccc(C(C)(C)C)cc1)=[N+](Cc1ccccc1Cl)CC2.[Cl-]

nearest known ligand 0.37

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 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 4/20 0.36
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
P2RX7 Q99572 1/20 0.36
EIF2AK1 Q9BQI3 1/20 0.36
MAPK10 P53779 4/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.34
BCHE P06276 2/20 0.34
COL1A1 P02452 1/20 0.33

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
SCHEMBL4790577 0.99 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4114604 0.88 ACHE (0.40) MAPTKDM4EALDH1A1MAPK1RAB9A
SCHEMBL4792771 0.87 ACHE (0.40) MAPTKDM4EALDH1A1MAPK1RAB9A
Hydrochloric Acid SCHEMBL4114623 0.85 P2RX7 (0.39) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4116067 0.84 EIF4E (0.41) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL4791086 0.83 EIF4E (0.40) MAPTKDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL4108509 0.81 P2RX7 (0.39) MAPTKDM4EMAPK1P2RX7ACHE
Hydrochloric Acid SCHEMBL4116296 0.81 COL1A1 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDP2RX7
Hydrochloric Acid SCHEMBL4103285 0.80 ACHE (0.41) MAPTKDM4EALDH1A1MAPK1RAB9A
Hydrochloric Acid SCHEMBL4097637 0.80 MAPT (0.42) MAPTSMN1; SMN2KDM4EALDH1A1GAA

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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives HANWHA CHEMICAL CORPORATION (KR) 2009-09-03 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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives KCNQ3, KCNQ1, KCNQ2 ACHE 984/4885MAPT 1375/4885SMN1; SMN2 4050/4885

“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.