Hydrochloric Acid

Hydrochloric Acid

SCHEMBL813206

Cc1cc(C)c(NCCNCCNc2c(C(C)C)cccc2C(C)C)c(C)c1.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.38

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 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RAPGEF4 Q8WZA2 7/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NLRP3 Q96P20 4/20 0.33
LMNA P02545 2/20 0.33
LPAR1 Q92633 1/20 0.33
CARM1 Q86X55 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Bromide SCHEMBL813305 0.97 SMN1; SMN2 (0.38) SMN1; SMN2GAAMAPK1RAPGEF4CYP1A2
Hydrochloric Acid SCHEMBL814062 0.89 MAPK1 (0.43) SMN1; SMN2MAPK1CYP1A2CYP3A4MAPT
Hydrochloric Acid SCHEMBL812454 0.89 RAPGEF4 (0.35) RAPGEF4CARM1
Hydrochloric Acid SCHEMBL814290 0.88 MAPK1 (0.35) SMN1; SMN2MAPK1RAPGEF4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL813075 0.87 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1CYP1A2CYP3A4NLRP3
Bromide SCHEMBL813884 0.86 RAPGEF4 (0.35) RAPGEF4CARM1
Bromide SCHEMBL813566 0.86 MAPK1 (0.43) SMN1; SMN2MAPK1CYP1A2CYP3A4MAPT
Bromide SCHEMBL820820 0.85 MAPK1 (0.35) SMN1; SMN2MAPK1RAPGEF4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL813590 0.85 RAPGEF4 (0.32) RAPGEF4CARM1
Hydrochloric Acid SCHEMBL813315 0.85 KMT2A (0.37) SMN1; SMN2GAAMAPK1RAPGEF4NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
EP-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 EP disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US disclosed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX SMN1; SMN2 1110/4885GAA 3583/4885MAPK1 4372/4885

“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.