Hydrochloric Acid

Hydrochloric Acid

SCHEMBL423231

COc1cc2c(ccc3c4ccc5c(c4c[n+](C)c23)OCO5)c(-c2ccc(-c3ccccc3)cc2)c1OC.[Cl-]

nearest known ligand 0.52

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
ACHE known ✓ P22303 4/20 0.50
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPK1 P28482 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 4/20 0.52
RAC1 P63000 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CDC42 P60953 3/20 0.52
GMNN O75496 2/20 0.52
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
RGS17 Q9UGC6 2/20 0.52
BAD Q92934 7/20 0.50

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
SCHEMBL10132270 0.99 BAD (0.51) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL10132268 0.97 BAD (0.53) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL10132265 0.90 ALDH1A1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL10132288 0.84 BAD (0.51) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL10132413 0.84 BAD (0.61) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL13283971 0.83 ALDH1A1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL10132266 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL13284349 0.82 RAC1 (0.53) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL10132640 0.81 RAC1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL10162982 0.79 RAC1 (0.55) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH ACHE 4187/4885ALDH1A1 3095/4885MAPT 4875/4885

“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.