Hydrochloric Acid

Hydrochloric Acid

SCHEMBL814103

CC(C)c1cc(C(C)C)c(NCCCN(CCNc2c(C(C)C)cc(C(C)C)cc2C(C)C)Cc2ccccn2)c(C(C)C)c1.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.42

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
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TERT O14746 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KDM4E B2RXH2 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
Bromide SCHEMBL813806 0.99 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL813920 0.98 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Bromide SCHEMBL814183 0.97 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL814754 0.96 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Bromide SCHEMBL813551 0.94 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL812633 0.94 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
SCHEMBL814914 0.93 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
SCHEMBL814342 0.93 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
SCHEMBL820779 0.93 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL814664 0.93 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLIN28ATDP1ALDH1A1

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 1110/4885MAPT 1902/4885LIN28A 344/4885

“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.