Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5003513

CC(C)(C)C1=C([Cr+2])C(Cc2ccccn2)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.38

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
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SYK P43405 2/20 0.35
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9731494 0.78 HTR2A (0.45) ALDH1A1SYKMEN1KMT2APKM
Hydrochloric Acid SCHEMBL5000189 0.69 MAPT (0.39) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL8126484 0.68 HTR2A (0.35) ALDH1A1NPC1RAB9ASYKMEN1
Hydrochloric Acid SCHEMBL1072138 0.66 LMNA (0.37) ALDH1A1SYKMEN1KMT2APKM
SCHEMBL1754787 0.65 HRH3 (0.43) ALDH1A1NPC1RAB9ASYKAURKB
SCHEMBL6760470 0.62 LMNA (0.36) ALDH1A1SYKMEN1KMT2APKM
SCHEMBL803465 0.61 GABRA1 (0.41) ALDH1A1MEN1KMT2ALMNAHRH3
SCHEMBL75465 0.60 FDPS (0.52) ALDH1A1NPC1RAB9ALMNAHRH3
SCHEMBL8304696 0.60 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ALMNAHRH3
SCHEMBL1515445 0.59 SMN1; SMN2 (0.48) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824888-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2017-01-18 EP disclosed
US-20080269445-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2008-10-30 US disclosed
EP-1824888-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2007-08-29 EP disclosed
WO-2006063826-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-06-22 WO 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-20080269445-A1 Monocyclopentadienyl Complexes PCBP1, COASY, PORCN ALDH1A1 2394/4885NPC1 2120/4885RAB9A 4737/4885

“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.