Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5409426

C[n+]1c2ccccc2c(-c2ccc(NC(=O)CCN)cc2)c2ccccc21.[Cl-]

nearest known ligand 0.62

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 12/20 0.62
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TERT O14746 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HTT P42858 1/20 0.40

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 SCHEMBL5414148 0.99 ACHE (0.60) ACHETP53ALDH1A1MAPTHPGD
SCHEMBL5276264 0.99 ACHE (0.63) ACHETP53ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL5404008 0.80 ACHE (0.62) ACHE
Hydrochloric Acid SCHEMBL5404002 0.79 HTT (0.47) ACHETP53ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL5414835 0.79 ACHE (0.60) ACHE
SCHEMBL5273957 0.78 ACHE (0.63) ACHE
SCHEMBL26944270 0.70 ACHE (0.62) ACHEMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4434423 0.70 ACHE (0.96) ACHEMAPTRAB9AHTTSMN1; SMN2
SCHEMBL4400398 0.70 L3MBTL1 (0.71) ALDH1A1MAPTHPGDHDAC3HDAC4
Hydrochloric Acid SCHEMBL5409420 0.70 ACHE (0.56) ACHETP53ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223865-B2 Chromogenic compounds, and use thereof as enzyme substrates BIOMERIEUX (FR) 2007-05-29 US disclosed
US-20060035306-A1 Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria BIOMERIEUX (FR) 2006-02-16 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-20060035306-A1 Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria ANPEP, RNPEP, DNPEP ACHE 393/4885TP53 4539/4885ALDH1A1 1161/4885

“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.