Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19639984

Cc1cc(C[N+](C)(C)Cc2cnc(C(C)NC(=O)c3c(-c4ccnn4-c4ccc(C#N)cc4)n(C)n(-c4cccc(C(F)(F)F)c4)c3=O)o2)no1.[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
ELANE P08246 15/20 0.43
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CETP P11597 1/20 0.31
TRPA1 O75762 2/20 0.31

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
SCHEMBL21796092 1.00 ELANE (0.43) ELANEMEN1KMT2AGRIN1GRIN2B
Hydrochloric Acid SCHEMBL19639983 1.00 ELANE (0.43) ELANEMEN1KMT2AGRIN1GRIN2B
SCHEMBL21796082 0.90 ELANE (0.44) ELANEMEN1KMT2A
SCHEMBL21796091 0.90 ELANE (0.47) ELANEMEN1KMT2A
Bromide SCHEMBL19640014 0.90 ELANE (0.44) ELANEMEN1KMT2A
Bromide SCHEMBL19640012 0.90 ELANE (0.44) ELANEMEN1KMT2A
Benzene SCHEMBL19640005 0.90 ELANE (0.46) ELANEMEN1KMT2A
SCHEMBL21796131 0.88 ELANE (0.47) ELANEMEN1KMT2A
Benzene SCHEMBL19639962 0.87 ELANE (0.47) ELANEMEN1KMT2A
SCHEMBL19656257 0.85 ELANE (0.47) ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 EP claimed
US-20170340611-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 US claimed
EP-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 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 (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-20170340611-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ELANE 2/4885MEN1 4540/4885KMT2A 4327/4885

“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.