Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1246731

C[n+]1ccc(C=Cc2ccc(NC(=O)CN)cc2)cc1.[Cl-]

nearest known ligand 0.51

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
▸ POLB P06746 3/20 0.51
▸ APOBEC3A P31941 2/20 0.51
▸ APOBEC3G Q9HC16 2/20 0.51
▸ KMT2A Q03164 4/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ APAF1 O14727 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ UBE2N P61088 1/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CHAT P28329 3/20 0.42
▸ TERT O14746 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41

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 SCHEMBL1246032 0.90 POLB (0.51) POLBAPOBEC3AAPOBEC3GKMT2ACTDSP1
SCHEMBL13043430 0.82 POLB (0.51) POLBAPOBEC3AAPOBEC3GKMT2ACTDSP1
SCHEMBL13043431 0.80 POLB (0.49) POLBAPOBEC3AAPOBEC3GKMT2ACTDSP1
SCHEMBL13764751 0.79 POLB (0.46) POLBAPOBEC3AAPOBEC3GKMT2ACTDSP1
Hydrochloric Acid SCHEMBL1246670 0.77 CHAT (0.57) POLBAPOBEC3AAPOBEC3GKMT2ACTDSP1
SCHEMBL1246036 0.77 TAAR1 (0.51) POLBAPOBEC3AAPOBEC3GKMT2ACTDSP1
SCHEMBL16492610 0.76 CA1 (0.47) KMT2ACA1CA2KDM4ETERT
SCHEMBL1245835 0.75 CHAT (0.59) POLBAPOBEC3AAPOBEC3GKMT2ACTDSP1
SCHEMBL8008080 0.75 CA1 (0.57) KMT2ACA1CA2ALDH1A1KDM4E
SCHEMBL20195629 0.74 CA1 (0.56) POLBKMT2ACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459735-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP claimed
US-8535901-B2 Peptidase substrates bioMérieux, S.A. 2013-09-17 — — US claimed
EP-2459735-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP claimed
US-20120122134-A1 Novel Peptidase Substrates BIOMERIEUX SA (FR) 2012-05-17 — — US claimed
WO-2011012811-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 — — WO claimed
EP-2459735-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP disclosed
US-8535901-B2 Peptidase substrates bioMérieux, S.A. 2013-09-17 — — US disclosed
EP-2459735-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP disclosed
US-20120122134-A1 Novel Peptidase Substrates BIOMERIEUX SA (FR) 2012-05-17 — — US disclosed
WO-2011012811-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 — — WO 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-20120122134-A1 Novel Peptidase Substrates CPA4, CTRL, CPB1 POLB 4267/4885APOBEC3A 3456/4885APOBEC3G 2774/4885

“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.

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