Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6142137

Cc1ccccc1N=Cc1ccc([Fe+])c(C=Nc2ccccc2C)n1.[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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MPI P34949 1/20 0.39
RECQL P46063 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CYP2C9 P11712 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.31
TERT O14746 1/20 0.30

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
SCHEMBL6142136 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EL3MBTL1POLB
Hydrochloric Acid SCHEMBL6142281 0.80 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EL3MBTL1POLB
Hydrochloric Acid SCHEMBL15949866 0.78 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL5589183 0.77 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL5589179 0.77 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL5590195 0.76 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL16471869 0.71 NR4A1 (0.59) ALDH1A1MAPTKDM4EL3MBTL1POLB
Hydrochloric Acid SCHEMBL6142148 0.65 CYP2C9 (0.39) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL5074324 0.64 CYP2C9 (0.52) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL7636431 0.64 CYP2C9 (0.52) ALDH1A1MAPTKDM4EL3MBTL1POLB

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-1492746-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS ExxonMobil Research and Engineering Company (US) 2005-01-05 EP claimed
US-6777584-B2 USING ORGANOMETALLIC CATALYST EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-08-17 US claimed
US-20030166985-A1 Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins EXXONMOBIL RESEARCH & ENGINEERING COMPANY 2003-09-04 US claimed
WO-2003072529-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-09-04 WO claimed

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-20030166985-A1 Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins EEF1D, CYP4Z1, ECH1 ALDH1A1 2839/4885MAPT 2316/4885KDM4E 3528/4885

“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.