Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4886515

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

nearest known ligand 0.38

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
BRD4 O60885 4/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK10 P53779 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.34

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 SCHEMBL4883753 0.82 SCN9A (0.36) BRD4MAPTNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL9323163 0.77 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL971129 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4886963 0.74 NPSR1 (0.46) MAPTNPC1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL4852720 0.74 SLC6A3 (0.51) MAPTSMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL971130 0.74 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4883603 0.72 SMN1; SMN2 (0.53) MAPTNPC1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL4850267 0.72 SLC6A3 (0.51) NPC1AHRALDH1A1
Hydrochloric Acid SCHEMBL4855373 0.72 SLC6A3 (0.51) MAPTSMN1; SMN2HPGDALDH1A1HDAC1
Bromide SCHEMBL7487077 0.71 SLC6A3 (0.51) MAPTSMN1; SMN2ALDH1A1KDM4E

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 BRD4 378/4885MAPT 1178/4885NPC1 632/4885

“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.