Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4098716

COc1cc2c(cc1OC)C(C(C)C)=[N+](Cc1ccc(F)c(F)c1)CC2.[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 17)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.44
COL1A1 P02452 5/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
RAD52 P43351 2/20 0.39
EP300 Q09472 2/20 0.39
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
METAP2 P50579 1/20 0.35
ABCB1 P08183 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B2 P19099 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
Hydrochloric Acid SCHEMBL4103163 0.86 ACHE (0.47) ACHECOL1A1KDM4ECYP3A4MAPT
SCHEMBL4766595 0.85 ACHE (0.48) ACHECOL1A1KDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL4770338 0.82 ACHE (0.46) ACHECOL1A1KDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL4096689 0.82 ACHE (0.43) ACHECOL1A1KDM4ECYP3A4MAPT
SCHEMBL4772119 0.81 ACHE (0.47) ACHECOL1A1KDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL4113587 0.81 ACHE (0.42) ACHECOL1A1KDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL4117215 0.80 ACHE (0.44) ACHECOL1A1KDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL4113616 0.79 ACHE (0.43) ACHECOL1A1KDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL4109071 0.79 ACHE (0.43) ACHECOL1A1KDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL4104346 0.79 P2RX7 (0.42) ACHECOL1A1KDM4ECYP3A4MAPT

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 984/4885COL1A1 4702/4885KDM4E 1933/4885

“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.