Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4886963

CC(=O)NCc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1.[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
SLC6A3 known ✓ Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ADAM17 P78536 1/20 0.37
KMT2A Q03164 3/20 0.36
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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 SCHEMBL971129 0.80 NPC1 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL4855373 0.78 SLC6A3 (0.51) SMN1; SMN2ALDH1A1MAPTHPGDGFER
Bromide SCHEMBL971130 0.77 NPC1 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL4886515 0.74 BRD4 (0.38) NPSR1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4882700 0.74 SMN1; SMN2 (0.58) NPSR1ALOX15SMN1; SMN2ALDH1A1MAPT
SCHEMBL8275413 0.73 NPSR1 (0.47) NPSR1ALOX15SMN1; SMN2ALDH1A1MAPT
SCHEMBL18215350 0.73 MAPK1 (0.56) NPSR1ALDH1A1MAPTHDAC1HDAC6
SCHEMBL8275731 0.72 NPC1 (0.46) NPSR1ALOX15SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4852720 0.72 SLC6A3 (0.51) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL4883753 0.72 SCN9A (0.36) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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 SLC6A3 592/4885NPSR1 4105/4885ALOX15 1427/4885

“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.