Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21461677

CCCCCCCCCCCC[N+](C)(C)CCNC(=O)NCCCNC(=O)CCN(CCC(=O)NCCCNC(=O)NCC[N+](C)(C)CCCCCCCCCCCC)CCc1ccc([N+](=O)[O-])cc1.[Cl-].[Cl-]

nearest known ligand 0.44

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 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MGLL Q99685 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BMP1 P13497 1/20 0.38
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 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 SCHEMBL21461678 0.98 KCNH2 (0.44) KCNH2ALDH1A1CA12CA1CA2
SCHEMBL21461683 0.80 CA12 (0.48) KCNH2ALDH1A1CA12CA1CA2
SCHEMBL21461679 0.76 CA1 (0.49) KCNH2ALDH1A1CA12CA1CA2
SCHEMBL11232034 0.74 ALDH1A1 (0.60) KCNH2ALDH1A1CA12CA1CA2
SCHEMBL11224190 0.73 ALDH1A1 (0.61) KCNH2ALDH1A1CA12CA1CA2
SCHEMBL21461680 0.72 KCNH2 (0.47) KCNH2ALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL11440808 0.68 PSMD14 (0.61) KCNH2ALDH1A1MGLLMEN1KMT2A
Hydrochloric Acid SCHEMBL8987017 0.68 PSMD14 (0.61) KCNH2ALDH1A1MGLLMEN1KMT2A
SCHEMBL8393893 0.67 CNR1 (0.61) ALDH1A1MEN1KMT2A
SCHEMBL8815105 0.67 DNM1 (0.59) KCNH2ALDH1A1MGLLMEN1KMT2A

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-10806140-B2 Antimicrobial compound PHYSICAL SCIENCES, INC. (US) 2020-10-20 US disclosed
US-20190313641-A1 ANTIMICROBIAL COMPOUND PHYSICAL SCIENCES, INC. 2019-10-17 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 (2 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-20190313641-A1 ANTIMICROBIAL COMPOUND NOD2, FPR1, NOD1 KCNH2 2629/4885ALDH1A1 4048/4885CA12 4064/4885
US-10806140-B2 Antimicrobial compound FPR1, NOD1, NOS1 KCNH2 2662/4885ALDH1A1 3563/4885CA12 4420/4885

“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.