Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2186464

COC(=O)[C@@H]1C/C=C\COc2ccc(cc2)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN[N+](C)=N)C(=O)N1.[Cl-]

nearest known ligand 0.48

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
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ F2 P00734 9/20 0.42
▸ TMPRSS2 O15393 8/20 0.42
▸ HPN P05981 8/20 0.42
▸ ST14 Q9Y5Y6 8/20 0.42
▸ HGFAC Q04756 6/20 0.42
▸ F10 P00742 3/20 0.40
▸ PLG P00747 2/20 0.35
▸ KLKB1 P03952 2/20 0.35
▸ PSMB5 P28074 2/20 0.35

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
SCHEMBL14597656 0.89 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214923 0.88 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4407501 0.87 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214828 0.87 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214853 0.87 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14847433 0.87 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL5422895 0.87 F2 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2357318 0.86 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2358557 0.86 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2357315 0.86 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 — — EP disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 — — US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 — — EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 — — US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 — — US disclosed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 — — 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 HDAC3 3569/4885HDAC4 2222/4885HDAC1 3007/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 HDAC3 3569/4885HDAC4 2222/4885HDAC1 3007/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 HDAC3 3569/4885HDAC4 2222/4885HDAC1 3007/4885

“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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