Hydrochloric Acid

Hydrochloric Acid

SCHEMBL813612

CCc1cc(CC)c(NC(C)CN(Cc2ccccn2)CC(C)Nc2c(CC)cc(CC)cc2CC)c(CC)c1.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.45

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
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LIN28A Q9H9Z2 1/20 0.41
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 2/20 0.36
APP P05067 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KCNA5 P22460 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
Bromide SCHEMBL813588 0.99 TDP1 (0.40) TDP1MAPTSMN1; SMN2LIN28APOLB
Hydrochloric Acid SCHEMBL813785 0.89 MAPT (0.44) TDP1MAPTSMN1; SMN2LIN28APOLB
Bromide SCHEMBL815490 0.88 MAPT (0.43) TDP1MAPTSMN1; SMN2LIN28APOLB
Hydrochloric Acid SCHEMBL813155 0.81 TDP1 (0.47) TDP1MAPTSMN1; SMN2LIN28APOLB
Hydrochloric Acid SCHEMBL813125 0.81 MAPT (0.45) TDP1MAPTSMN1; SMN2LIN28ANPSR1
Hydrochloric Acid SCHEMBL813874 0.80 SMN1; SMN2 (0.47) TDP1MAPTSMN1; SMN2LIN28AKDM4E
Bromide SCHEMBL813161 0.80 TDP1 (0.46) TDP1MAPTSMN1; SMN2LIN28APOLB
Hydrochloric Acid SCHEMBL815188 0.80 TDP1 (0.48) TDP1MAPTSMN1; SMN2LIN28APOLB
Bromide SCHEMBL813689 0.80 MAPT (0.44) TDP1MAPTSMN1; SMN2LIN28ANPSR1
Bromide SCHEMBL820668 0.79 MAPT (0.46) TDP1MAPTSMN1; SMN2LIN28AKDM4E

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
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
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX TDP1 3897/4885MAPT 1902/4885SMN1; SMN2 1110/4885

“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.