Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4870515

O=C(O)CCc1nc2ccc(N3CCCCC3)nc2s1.[Cl-].[H+]

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
HDAC6 Q9UBN7 2/20 0.43
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 4/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PARP1 P09874 1/20 0.36
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 SCHEMBL4669334 0.99 MAOB (0.50) MAOBHDAC6ALOX15HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4870524 0.96 MAOB (0.52) MAOBHDAC6ALOX15HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4669337 0.95 MAOB (0.51) MAOBHDAC6ALOX15HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4875252 0.89 HDAC6 (0.42) MAOBHDAC6HTTMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL4875256 0.86 HDAC6 (0.43) MAOBHDAC6HTTSMN1; SMN2MCHR1
Hydrochloric Acid SCHEMBL4673069 0.73 MAOB (0.47) MAOBHDAC6ALOX15HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4875000 0.72 HDAC6 (0.44) MAOBHDAC6ALOX15HTTSMN1; SMN2
SCHEMBL4929694 0.70 HDAC6 (0.53) HDAC6ALOX15HTTSMN1; SMN2ALDH1A1
SCHEMBL9774731 0.69 MAOB (0.61) MAOBALOX15SMN1; SMN2ALDH1A1HPGD
SCHEMBL12557889 0.69 MAOB (0.61) MAOBSMN1; SMN2ALDH1A1HPGDCYP1A2

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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 MAOB 4722/4885HDAC6 782/4885ALOX15 3100/4885

“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.