Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1797616

Brc1ccc2[nH]c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1.[Cl-]

nearest known ligand 0.44

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
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDPK1 O15530 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
CYP19A1 P11511 1/20 0.37
DDAH1 O94760 1/20 0.36
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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 SCHEMBL513765 0.82 GAA (0.56) RAB9ANPC1SMN1; SMN2GAADDAH1
SCHEMBL5081088 0.77 GAA (0.66) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL1798574 0.72 RAB9A (0.42) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL17513343 0.72 CACNA1H (0.50) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL12350646 0.72 DDAH1 (0.58) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL13628993 0.72 RAB9A (0.42) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL1976712 0.72 TDP1 (0.51) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL31570020 0.72 TDP1 (0.51) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL11104899 0.71 MAPT (0.44) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL17494147 0.70 AAK1 (0.52) RAB9ANPC1KMT2AMAPTALDH1A1

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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 RAB9A 3985/4885NPC1 750/4885KMT2A 3420/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 RAB9A 3985/4885NPC1 750/4885KMT2A 3420/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 RAB9A 3985/4885NPC1 750/4885KMT2A 3420/4885

“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.