Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6119092

CC(=NC1CCCCC1)c1cccc(C(C)=NC2CCCCC2)n1.[Cl-].[Cl-].[Fe+2]

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
ALDH1A1 P00352 3/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SIGMAR1 Q99720 3/20 0.41
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 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 SCHEMBL7175502 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7173330 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7175999 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7180535 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7183213 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL4887030 0.97 ALDH1A1 (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL4887039 0.97 ALDH1A1 (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7179238 0.82 ALDH1A1 (0.43) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL6714110 0.82 KDM4E (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL6714109 0.82 KDM4E (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2

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-2643329-B1 IN-SITU ACTIVATION OF METAL COMPLEXES USED AS HYDROSILYLATION CATALYSTS MOMENTIVE PERFORMANCE MAT INC (US) 2016-07-27 EP disclosed
US-8765987-B2 In-situ activation of metal complexes containing terdentate nitrogen ligands used as hydrosilylation catalysts CORNELL UNIVERSITY (US) 2014-07-01 US disclosed
EP-2643329-A2 IN-SITU ACTIVATION OF METAL COMPLEXES USED AS HYDROSILYLATION CATALYSTS Momentive Performance Materials Inc. (US) 2013-10-02 EP disclosed
WO-2012071358-A2 IN-SITU ACTIVATION OF METAL COMPLEXES CONTAINING TERDENTATE NITROGEN LIGANDS USED AS HYDROSILYLATION CATALYSTS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2012-05-31 WO disclosed
US-20120130106-A1 IN-SITU ACTIVATION OF METAL COMPLEXES CONTAINING TERDENTATE NITROGEN LIGANDS USED AS HYDROSILYLATION CATALYSTS CORNELL UNIVERSITY (US) 2012-05-24 US disclosed
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP 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-20120130106-A1 IN-SITU ACTIVATION OF METAL COMPLEXES CONTAINING TERDENTATE NITROGEN LIGANDS USED AS HYDROSILYLATION CATALYSTS TST, TPR, NBAS ALDH1A1 3950/4885ALOX15 1335/4885RAB9A 2175/4885

“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.