Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4108595

COc1ccc(C[N+]2=C(C(C)c3ccc(C(C)(C)C)cc3)c3cc(OC)c(OC)cc3CC2)cc1OC.[Cl-]

nearest known ligand 0.47

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 15)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.47
P2RX7 Q99572 1/20 0.42
COL1A1 P02452 3/20 0.38
RAD52 P43351 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
EP300 Q09472 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34

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 SCHEMBL4111744 0.90 COL1A1 (0.42) ACHEP2RX7COL1A1KMT2A
Bromide SCHEMBL4097017 0.89 COL1A1 (0.44) ACHEP2RX7COL1A1KMT2A
Hydrochloric Acid SCHEMBL4116313 0.85 P2RX7 (0.38) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4105925 0.83 ACHE (0.38) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4108590 0.82 ACHE (0.53) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4114582 0.82 COL1A1 (0.35) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4098684 0.79 P2RX7 (0.44) ACHEP2RX7COL1A1
Hydrochloric Acid SCHEMBL4103260 0.79 P2RX7 (0.40) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4104497 0.78 COL1A1 (0.34) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4113684 0.77 P2RX7 (0.37) P2RX7COL1A1RAD52KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives HANWHA CHEMICAL CORPORATION (KR) 2009-09-03 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 (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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives KCNQ3, KCNQ1, KCNQ2 ACHE 984/4885P2RX7 2386/4885COL1A1 4702/4885

“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.