Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7044267

Cc1cc(C)c(N=C(c2ccccc2)c2cccc(C(=Nc3c(C)cc(C)cc3C)c3ccccc3)n2)c(C)c1.[Cl-].[Cl-].[Fe+2]

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.36
AGTR1 P30556 2/20 0.35
LCK P06239 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
MITF O75030 1/20 0.33
OPRK1 P41145 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 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
Hydrochloric Acid SCHEMBL7044265 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL14280811 0.97 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5589752 0.97 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5589661 0.95 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL23982608 0.89 RAB9A (0.38) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL25647091 0.87 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL21078305 0.87 RAB9A (0.39) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL25940738 0.87 MEN1 (0.34) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5590682 0.86 GRIN2D (0.39) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL14280799 0.86 GRIN2D (0.39) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030104929-A1 Polymerisation catalyst BP CHEMICALS LIMITED (GB) 2003-06-05 US claimed
EP-1216254-A1 POLYMERISATION CATALYST BP Chemicals Limited (GB) 2002-06-26 EP claimed
WO-2001023396-A1 POLYMERISATION CATALYST BP CHEMICALS LIMITED (GB) 2001-04-05 WO claimed
US-20030104929-A1 Polymerisation catalyst BP CHEMICALS LIMITED (GB) 2003-06-05 US disclosed
EP-1216254-A1 POLYMERISATION CATALYST BP Chemicals Limited (GB) 2002-06-26 EP disclosed
WO-2001023396-A1 POLYMERISATION CATALYST BP CHEMICALS LIMITED (GB) 2001-04-05 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-20030104929-A1 Polymerisation catalyst RUVBL2, RUVBL1, MT-ND4L ALDH1A1 4084/4885KMT2A 1611/4885SMN1; SMN2 3839/4885

“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.