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Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4879563

Cc1ccc(C(N)=O)cc1.[Cl-].[H+]

nearest known ligand 0.56

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
▸ ALDH1A1 P00352 6/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CES2 O00748 2/20 0.56
▸ CES1 P23141 2/20 0.56
▸ PARP10 Q53GL7 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ PARP1 P09874 3/20 0.52
▸ PARP4 Q9UKK3 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ PARP2 Q9UGN5 1/20 0.52
▸ TDP1 Q9NUW8 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ PARP15 Q460N3 1/20 0.50
▸ PARP14 Q460N5 1/20 0.50
▸ PARP16 Q8N5Y8 1/20 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
Terephthalamide SCHEMBL17907469 0.95 ALDH1A1 (0.62) ALDH1A1LMNACES2CES1PARP10
SCHEMBL76475 0.95 ALDH1A1 (0.62) ALDH1A1LMNACES2CES1PARP10
Hydrochloric Acid SCHEMBL1776305 0.92 ALDH1A1 (0.59) ALDH1A1LMNACES2CES1PARP10
Hydrochloric Acid SCHEMBL4376615 0.92 ALDH1A1 (0.59) ALDH1A1LMNACES2CES1PARP10
SCHEMBL10416433 0.92 ALDH1A1 (0.59) ALDH1A1LMNACES2CES1PARP10
Hydrazine SCHEMBL28484381 0.92 ALDH1A1 (0.59) ALDH1A1LMNACES2CES1PARP10
SCHEMBL30775329 0.92 ALDH1A1 (0.59) ALDH1A1LMNACES2CES1PARP10
Benzene SCHEMBL28164652 0.90 PARP1 (0.64) ALDH1A1LMNACES2CES1PARP10
SCHEMBL5981249 0.88 CA1 (0.55) ALDH1A1LMNACES2CES1PARP10
SCHEMBL20705487 0.88 CA1 (0.55) ALDH1A1LMNACES2CES1PARP10

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
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2006-11-30 — — US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 — — 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 (3 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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 ALDH1A1 672/4885LMNA 3104/4885CES2 2377/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 ALDH1A1 672/4885LMNA 3104/4885CES2 2377/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI ALDH1A1 316/4885LMNA 2003/4885CES2 1470/4885

“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.