Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4432072

CC1(C)CC(NC(=O)C2CC2)CC(C)(C)N1O.[Cl-].[H+]

nearest known ligand 0.49

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 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 3/20 0.34
EPHX2 P34913 3/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4438119 0.96 GAA (0.48) GAAKDM4EKMT2APOLBCYP2D6
Hydrochloric Acid SCHEMBL4959722 0.95 GAA (0.50) GAAKDM4EKMT2APOLBCYP2D6
SCHEMBL14008370 0.90 GAA (0.46) GAAKDM4EKMT2ACYP2D6HRH3
SCHEMBL16161415 0.87 GAA (0.49) GAAKDM4EKMT2APOLBCYP2D6
SCHEMBL16166825 0.81 GAA (0.48) GAAKDM4EKMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4960543 0.80 GAA (0.39) GAAKDM4EKMT2APOLBL3MBTL1
SCHEMBL13172679 0.77 GAA (0.53) GAAKDM4EKMT2APOLBL3MBTL1
SCHEMBL13172621 0.77 GAA (0.53) GAAKDM4EKMT2AL3MBTL1EPHX2
SCHEMBL4439487 0.76 GAA (0.41) GAAKDM4EKMT2APOLBL3MBTL1
SCHEMBL16161458 0.76 GAA (0.46) GAAKDM4EKMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 GAA 3200/4885KDM4E 4017/4885KMT2A 3795/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 GAA 1386/4885KDM4E 1383/4885KMT2A 414/4885

“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.