Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14764903

C[n+]1ccc(-c2csc(S)n2)cc1.[Cl-]

nearest known ligand 0.46

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
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
EIF4H Q15056 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 2/20 0.35
AR P10275 2/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 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
SCHEMBL1984060 0.98 PABPC1 (0.42) PABPC1APOBEC3AEIF4HAPOBEC3GKDM4E
Bromide SCHEMBL14765198 0.96 PABPC1 (0.41) PABPC1APOBEC3AEIF4HAPOBEC3GKDM4E
SCHEMBL16552577 0.92 PABPC1 (0.38) PABPC1APOBEC3AEIF4HAPOBEC3GKDM4E
SCHEMBL16552761 0.88 HPGD (0.38) PABPC1APOBEC3AEIF4HAPOBEC3GRAB9A
Trifluoromethanesulfonic Acid SCHEMBL14765272 0.83 KDM1A (0.37) PABPC1APOBEC3AEIF4HAPOBEC3GRAB9A
SCHEMBL16552862 0.81 TERT (0.50) KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1810828 0.79 KDM4E (0.53) KDM4ERAB9ASMN1; SMN2NPC1LOXL2
SCHEMBL14063445 0.78 GAA (0.54) KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3833508 0.77 KDM4E (0.52) KDM4ERAB9ASMN1; SMN2NPC1LOXL2
Bromide SCHEMBL3837111 0.77 KDM4E (0.52) KDM4ERAB9ASMN1; SMN2NPC1LOXL2

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
EP-2753620-B1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL SANDOZ AG (CH) 2017-02-15 EP disclosed
US-9382278-B2 Process for preparing ceftaroline fosamil SANDOZ AG (CH) 2016-07-05 US disclosed
US-20160009745-A1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL SANDOZ AG (CH) 2016-01-14 US disclosed
US-9169239-B2 Process for preparing ceftaroline fosamil SANDOZ AG (CH) 2015-10-27 US disclosed
US-20150073138-A1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL SANDOZ AG (CH) 2015-03-12 US disclosed
WO-2013034718-A1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL SANDOZ AG (CH) 2013-03-14 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 (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-20150073138-A1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL FOS, FOSB, CYP3A7 PABPC1 2816/4885APOBEC3A 252/4885EIF4H 1749/4885
US-20160009745-A1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL FOS, FOSB, CYP3A7 PABPC1 2643/4885APOBEC3A 211/4885EIF4H 1435/4885

“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.