Hydrochloric Acid

Hydrochloric Acid

SCHEMBL812282

Cc1cccc(C)c1NC(C)CNCC(C)Nc1c(C)cccc1C.[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 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
SCN3A Q9NY46 4/20 0.33
SCN1A P35498 4/20 0.33
SCN2A Q99250 3/20 0.33
ANPEP P15144 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
NFKB1 P19838 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
SGMS2 Q8NHU3 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 2/20 0.32
ATM Q13315 1/20 0.32
HTR1D P28221 1/20 0.32
SCN4A P35499 4/20 0.32
LMNA P02545 3/20 0.32
SCN5A Q14524 3/20 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 SCHEMBL813674 0.96 ALOX12 (0.38) ALOX12RECQLSCN3ASCN1ASCN2A
SCHEMBL10391937 0.87 LMNA (0.40) ALOX12RECQLSCN3ASCN1ASCN2A
Hydrochloric Acid SCHEMBL10392365 0.85 LMNA (0.39) ALOX12RECQLSCN3ASCN1ASCN2A
SCHEMBL11176677 0.82 ALOX12 (0.36) ALOX12RECQLSCN3ASCN1ASCN2A
Hydrochloric Acid SCHEMBL11170663 0.81 ALOX12 (0.35) ALOX12RECQLSCN3ASCN1ASCN2A
Hydrochloric Acid SCHEMBL815765 0.79 HTR1D (0.38) ALOX12RECQLSCN3ASCN1ASCN2A
Hydrochloric Acid SCHEMBL813211 0.79 SMN1; SMN2 (0.41) CYP1A2MEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL813477 0.78 HTT (0.38) ANPEPCYP2C19SCN5ATSHRKCNH2
SCHEMBL13091238 0.78 ALDH1A1 (0.52) ALOX12RECQLSCN3ASCN1ASCN2A
Bromide SCHEMBL813004 0.77 RAPGEF4 (0.41) CYP1A2CYP2C9CYP2C19LMNACYP3A4

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 ALOX12 586/4885RECQL 3146/4885SCN3A 3375/4885

“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.