Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4098418

Fc1ccccc1C[N+]1=C(c2ccc(Cl)cc2)c2cc3c(cc2CC1)OCO3.[Cl-]

nearest known ligand 0.39

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 0.36
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
BCHE P06276 3/20 0.36
PREP P48147 3/20 0.36
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32

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 SCHEMBL4113599 0.91 SMN1; SMN2 (0.38) P2RX7NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL4113796 0.90 P2RX7 (0.40) P2RX7NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL4103480 0.87 P2RX7 (0.36) P2RX7NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL4098070 0.86 P2RX7 (0.38) P2RX7NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4892415 0.86 SMN1; SMN2 (0.36) P2RX7NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL4102832 0.84 P2RX7 (0.34) P2RX7NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4900648 0.83 SCN1A (0.35) P2RX7NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL4103285 0.82 ACHE (0.41) P2RX7RAB9ABCHEACHEALDH1A1
SCHEMBL4835382 0.81 ACHE (0.41) P2RX7RAB9ABCHEACHEALDH1A1
Hydrochloric Acid SCHEMBL4109295 0.80 P2RX7 (0.40) P2RX7NPC1RAB9ASMN1; SMN2NFKB1

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 2386/4885NPC1 903/4885

“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.