Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3851945

Cc1n(CC(=O)c2ccc(F)cc2F)cc[n+]1C.[Cl-]

nearest known ligand 0.41

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 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.41
GUSB P08236 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KCNH2 Q12809 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
ACKR3 P25106 2/20 0.38

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 SCHEMBL3844287 0.79 RAB9A (0.47)
Bromide SCHEMBL3849745 0.79 ATM (0.52) HTR2AHTR2C
Hydrochloric Acid SCHEMBL3848623 0.78 POLB (0.53)
Bromide SCHEMBL3850362 0.75 POLB (0.42) CES2CES1
Bromide SCHEMBL3845562 0.75 CES2 (0.36) CES2CES1
Hydrochloric Acid SCHEMBL3851951 0.73 CES2 (0.41) CTSDGUSBCES2CES1HTR2A
Bromide SCHEMBL3853756 0.72 NPC1 (0.45) CTSD
Bromide SCHEMBL3844954 0.72 RAB9A (0.51)
Bromide SCHEMBL3845433 0.71 CTNNB1 (0.41)
Hydrochloric Acid SCHEMBL3846574 0.70 GFER (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
US-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 US disclosed
US-20090124673-A1 Method for treating diabetic nephropathy SYNVISTA THERAPEUTICS , INC. (US) 2009-05-14 US disclosed
US-7432254-B2 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents SYNVISTA THERAPEUTICS, INC. 2007-02-22 US disclosed
US-7166625-B2 Method for treating fibrotic diseases and other indications ALTEON, INC. (US) 2007-01-23 US disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 US disclosed
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID SYNVISTA THERAPEUTICS, INC. 2002-11-28 US disclosed
US-20020160993-A1 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. 2002-10-31 US disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 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 (8 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-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 CTSD 807/4885GUSB 60/4885CES2 854/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 CTSD 3580/4885GUSB 465/4885CES2 3399/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 CTSD 830/4885GUSB 80/4885CES2 781/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 CTSD 1924/4885GUSB 1088/4885CES2 776/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 CTSD 1342/4885GUSB 264/4885CES2 1305/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 CTSD 720/4885GUSB 63/4885CES2 1244/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX CTSD 2080/4885GUSB 1584/4885CES2 1014/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 CTSD 2393/4885GUSB 266/4885CES2 714/4885

“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.