Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5707970

C[n+]1ccn(CCN2CCN(c3ccc(N)cc3)CC2)c1.[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
MAPT P10636 8/20 0.51
KDM4E B2RXH2 5/20 0.51
GFER P55789 4/20 0.51
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAD52 P43351 2/20 0.51
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
ADRA2C P18825 1/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 1/20 0.47
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTR7 P34969 2/20 0.40
CASP6 P55212 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL5707933 0.99 MAPT (0.53) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707945 0.95 MAPT (0.47) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707917 0.94 MAPT (0.48) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6413349 0.92 MAPT (0.49) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6151485 0.91 MAPT (0.50) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707956 0.84 GAA (0.56) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707930 0.82 GAA (0.58) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5829351 0.81 ADRA2C (0.49) MAPTKDM4EGAASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL5707958 0.80 GAA (0.52) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707947 0.77 GFER (0.51) MAPTKDM4EGFERGAASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462445-B1 Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres OREAL (FR) 2006-10-18 EP claimed
US-7090703-B2 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL (FR) 2006-08-15 US claimed
US-20060123565-A9 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS SABELLE STEPHANE 2006-06-15 US claimed
US-20050066451-A1 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-03-31 US claimed
US-7090703-B2 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL (FR) 2006-08-15 US disclosed
US-20060123565-A9 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS SABELLE STEPHANE 2006-06-15 US disclosed
US-20050066451-A1 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-03-31 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-20050066451-A1 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers KRT18, VIM, DDAH1 MAPT 2832/4885KDM4E 1048/4885GFER 1693/4885
US-20060123565-A9 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS KRT18, VIM, DDAH1 MAPT 2832/4885KDM4E 1048/4885GFER 1693/4885

“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.