Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5365087

O=C(C[n+]1cc(Br)cc(-c2cc(-c3ccccc3)n[nH]2)c1)c1cccs1.[Cl-]

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
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
HCRTR1 O43613 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK8 P45983 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ITK Q08881 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 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
Hydrochloric Acid SCHEMBL6596513 0.87 RAB9A (0.43) KMT2AMEN1POLBRAB9AMAPT
SCHEMBL6598001 0.81 ALDH1A1 (0.38) KMT2AMEN1POLBRAB9AMAPT
Hydrochloric Acid SCHEMBL6596505 0.80 RAB9A (0.40) KMT2AMEN1POLBRAB9AMAPT
Hydrochloric Acid SCHEMBL6611866 0.73 POLB (0.38) KMT2AMEN1POLBRAB9AMAPT
Hydrochloric Acid SCHEMBL3686641 0.72 ALDH1A1 (0.38) KMT2AMEN1POLBRAB9AMAPT
Hydrochloric Acid SCHEMBL6609904 0.69 POLB (0.34) KMT2AMEN1POLBRAB9AMAPT
SCHEMBL287109 0.69 MAPT (0.37) KMT2AMEN1POLBRAB9AMAPT
Bromide SCHEMBL6826247 0.67 MAPT (0.35) KMT2AMEN1POLBRAB9AMAPT
SCHEMBL297726 0.66 MAPT (0.38) KMT2AMEN1POLBRAB9AMAPT
Hydrochloric Acid SCHEMBL1194570 0.65 KMT2A (0.41) KMT2AMEN1RAB9AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2007-07-19 US disclosed
US-7223777-B2 Compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2007-05-29 US disclosed
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP disclosed
WO-2002085897-A9 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS SANKARANARAYANAN ALANGUDI (IN) 2004-04-01 WO disclosed
EP-1373263-A1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS Torrent Pharmaceuticals Ltd (IN) 2004-01-02 EP disclosed
US-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2003-03-06 US disclosed
WO-2002085897-A1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS SANKARANARAYANAN ALANGUDI (IN) 2002-10-31 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 (2 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-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 KMT2A 3588/4885MEN1 2972/4885POLB 884/4885
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 KMT2A 3499/4885MEN1 3262/4885POLB 685/4885

“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.