Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3844965

CCOC(=O)c1csc(NC(=O)Cn2ccn(C)[c+]2C)n1.[Cl-]

nearest known ligand 0.62

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
ACHE known ✓ P22303 2/20 0.48
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MAPK1 P28482 2/20 0.50
ANO1 Q5XXA6 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
EGFR P00533 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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 SCHEMBL3844961 0.76 CYP1A2 (0.61) CYP1A2CYP2C19LMNAGAASMN1; SMN2
SCHEMBL4127691 0.76 CYP1A2 (0.76) CYP1A2CYP2C19LMNAGAASMN1; SMN2
SCHEMBL7484798 0.74 CYP1A2 (0.78) CYP1A2CYP2C19LMNAGAASMN1; SMN2
SCHEMBL29112911 0.74 CYP1A2 (0.82) CYP1A2CYP2C19LMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL3853166 0.74 ALDH1A1 (0.62) LMNAGAARAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL3844963 0.74 CYP1A2 (0.61) CYP1A2CYP2C19LMNAGAASMN1; SMN2
SCHEMBL4871149 0.74 CYP1A2 (0.76) CYP1A2CYP2C19LMNAGAASMN1; SMN2
SCHEMBL5546119 0.71 MAPK1 (0.69) CYP1A2CYP2C19LMNAGAASMN1; SMN2
SCHEMBL1816233 0.71 CYP1A2 (0.71) CYP1A2CYP2C19LMNAGAASMN1; SMN2
SCHEMBL4093041 0.70 CYP1A2 (0.71) CYP1A2CYP2C19LMNAGAASMN1; SMN2

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 14 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-20090124673-A1 Method for treating diabetic nephropathy SYNVISTA THERAPEUTICS , INC. (US) 2009-05-14 US disclosed
US-20090124674-A1 Method for treating congestive heart failure 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
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 EP disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 EP 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
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO 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 ACHE 1566/4885CYP1A2 946/4885CYP2C19 2807/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 ACHE 32/4885CYP1A2 1670/4885CYP2C19 2599/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ACHE 1413/4885CYP1A2 1293/4885CYP2C19 3310/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 ACHE 2654/4885CYP1A2 603/4885CYP2C19 2373/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ACHE 1116/4885CYP1A2 2286/4885CYP2C19 3139/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 ACHE 1945/4885CYP1A2 902/4885CYP2C19 3178/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX ACHE 2361/4885CYP1A2 657/4885CYP2C19 1548/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ACHE 657/4885CYP1A2 1223/4885CYP2C19 1885/4885

“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.