Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7224338

CCCCCN1CC[N+](CCCCC)=C1F.[Cl-]

nearest known ligand 0.43

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 7)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.43
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 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
Hydrochloric Acid SCHEMBL7216909 0.98 EEF2K (0.45) EEF2KMEN1KMT2APTGS1PTGS2
Iodide SCHEMBL7246570 0.97 EEF2K (0.46) EEF2KMEN1KMT2APTGS1PTGS2
Bromide SCHEMBL4651688 0.97 EEF2K (0.43) EEF2KMEN1KMT2APTGS1PTGS2
Bromide SCHEMBL4651633 0.95 EEF2K (0.45) EEF2KMEN1KMT2APTGS1PTGS2
Iodide SCHEMBL7216929 0.95 EEF2K (0.48) EEF2KMEN1KMT2APTGS1PTGS2
Hydrochloric Acid SCHEMBL7224238 0.92 MEN1 (0.39) EEF2KMEN1KMT2A
Bromide SCHEMBL4652942 0.88 EEF2K (0.38) EEF2KMEN1KMT2A
Iodide SCHEMBL7218748 0.88 EEF2K (0.40) EEF2KMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7970741 0.86 CCR5 (0.41) EEF2KMEN1KMT2AFAAH
Trifluoroacetic Acid SCHEMBL7967266 0.85 CCR5 (0.43) EEF2KMEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6632949-B2 Difluoro-diamine methylene derivatives MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US disclosed
US-6458990-B1 BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-0949226-B1 Process for the preparation of acetylene derivatives MITSUI CHEMICALS INC (JP) 2002-07-17 EP disclosed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
US-6127583-A Process for preparing acetylene derivative from a ketone compound MITSUI CHEMICALS, INC. (JP) 2000-10-03 US disclosed
EP-0949226-A1 Process for the preparation of acetylene derivatives Mitsui Chemicals, Inc. (JP) 1999-10-13 EP disclosed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 EP 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 (2 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-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 EEF2K 1520/4885MEN1 1402/4885KMT2A 1834/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 EEF2K 1370/4885MEN1 1242/4885KMT2A 2122/4885

“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.