Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4883753

CN(C)C(=O)c1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1.[Cl-]

nearest known ligand 0.36

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
SCN9A Q15858 1/20 0.36
PRKCI P41743 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRM1 Q13255 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
FFAR2 O15552 1/20 0.32

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 SCHEMBL4886515 0.82 BRD4 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9ABRD4
Bromide SCHEMBL9323163 0.77 MAPT (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4852720 0.74 SLC6A3 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL971129 0.74 NPC1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL17716402 0.74 SCN9A (0.36) SCN9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4886906 0.72 SMN1; SMN2 (0.49) SCN9AMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4886963 0.72 NPSR1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL4855373 0.72 SLC6A3 (0.51) KMT2ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4850267 0.72 SLC6A3 (0.51) SCN9AALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL7487077 0.71 SLC6A3 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA SCN9A 896/4885PRKCI 4154/4885MEN1 4721/4885

“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.