Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7051973

O=C(C[n+]1cccc(C(=O)NCCO)c1)Nc1ccccc1.[Cl-]

nearest known ligand 0.67

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 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.67
BACE1 P56817 5/20 0.62
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
ADRB2 P07550 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49

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 SCHEMBL7049163 0.87 HSP90AA1 (0.67) HSP90AA1BACE1ALDH1A1HTTRAB9A
SCHEMBL7509553 0.86 HSP90AA1 (0.65) HSP90AA1BACE1ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL1194544 0.85 HSP90AA1 (0.61) HSP90AA1BACE1ALDH1A1HTT
SCHEMBL7506903 0.83 KMT2A (0.56) HSP90AA1ALDH1A1LMNAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL1193911 0.82 HSP90AA1 (0.70) HSP90AA1BACE1ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL7110808 0.82 HSP90AA1 (0.70) HSP90AA1BACE1ALDH1A1LMNAKMT2A
Bromide SCHEMBL7052966 0.82 KMT2A (0.58) ALDH1A1LMNAKMT2ACYP1A2ADRB2
SCHEMBL5466834 0.82 HSP90AA1 (0.77) HSP90AA1BACE1ALDH1A1LMNAHTT
SCHEMBL6223892 0.81 HSP90AA1 (0.68) HSP90AA1BACE1ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL7048253 0.81 HSP90AA1 (0.45) HSP90AA1BACE1ALDH1A1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications TORRENT PHARMACEUTICALS LTD. 2002-08-01 US claimed
EP-1304101-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications Torrent Pharmaceuticals Ltd (IN) 2003-04-23 EP disclosed
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications TORRENT PHARMACEUTICALS LTD. 2002-08-01 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-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP HSP90AA1 4863/4885BACE1 1232/4885ALDH1A1 662/4885

“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.