Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4598508

COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C.[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 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TRAP1 Q12931 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BMP1 P13497 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HIF1A Q16665 1/20 0.35

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
Bromide SCHEMBL6201598 0.81 SMN1; SMN2 (0.50) LMNAMAPTTRAP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5829422 0.80 L3MBTL1 (0.47) MAPTTRAP1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10754696 0.78 TRAP1 (0.41) LMNAMAPTTRAP1KDM4EHIF1A
Hydrochloric Acid SCHEMBL9063521 0.77 TRAP1 (0.51) LMNATRAP1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10735322 0.76 TRAP1 (0.55) LMNAMAPTKDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL6195992 0.76 TRAP1 (0.48) MAPTTRAP1MEN1KMT2AALDH1A1
Bromide SCHEMBL11602441 0.76 HIF1A (0.40) TRAP1ALDH1A1TSHRHIF1A
Bromide SCHEMBL3607673 0.76 L3MBTL1 (0.47) MAPTTRAP1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8680191 0.75 PTGES2 (0.42) MAPTTRAP1KDM4E
Bromide SCHEMBL1149819 0.74 ABCB1 (0.48) MEN1KMT2AALDH1A1TSHRPOLB

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-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 US 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP LMNA 1410/4885MAPT 33/4885KDM1A 1034/4885

“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.