Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4113907

COc1cc2c(cc1OC)C(c1ccccc1F)=[N+](Cc1c(F)cccc1Cl)CC2.[Cl-]

nearest known ligand 0.42

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
ACHE known ✓ P22303 3/20 0.36
P2RX7 Q99572 1/20 0.42
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK10 P53779 2/20 0.39
MAPK14 Q16539 1/20 0.39
PDE10A Q9Y233 1/20 0.37
EIF2AK1 Q9BQI3 1/20 0.36
MAPK1 P28482 2/20 0.35
RAD52 P43351 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LCK P06239 1/20 0.35
BTK Q06187 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34

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 SCHEMBL4097034 0.93 ACHE (0.40) P2RX7LMNAMAPTACHEMAPK1
Hydrochloric Acid SCHEMBL4109058 0.86 P2RX7 (0.43) P2RX7LMNAMAPTHTTSMN1; SMN2
SCHEMBL4836249 0.85 P2RX7 (0.42) P2RX7LMNAMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4114623 0.85 P2RX7 (0.39) P2RX7LMNAMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4098686 0.84 ACHE (0.44) LMNAMAPTACHEMAPK1RAD52
Hydrochloric Acid SCHEMBL4104346 0.84 P2RX7 (0.42) P2RX7LMNAMAPTHTTSMN1; SMN2
SCHEMBL4828302 0.83 ACHE (0.45) P2RX7LMNAMAPTACHEMAPK1
Hydrochloric Acid SCHEMBL4113587 0.81 ACHE (0.42) P2RX7LMNAMAPTACHEMAPK1
Hydrochloric Acid SCHEMBL4103184 0.81 P2RX7 (0.40) P2RX7LMNAMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4107067 0.81 P2RX7 (0.40) P2RX7LMNAMAPTHTTSMN1; 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-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 984/4885P2RX7 2386/4885LMNA 3868/4885

“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.