Hypochlorous Acid

Hypochlorous Acid

SCHEMBL3087241

CCOC(=O)c1cn2c(n1)CNCC2.OCl

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.43
HDAC2 Q92769 3/20 0.42
HDAC1 Q13547 2/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MGLL Q99685 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL929672 0.97 PDCD1 (0.43) SMOHDAC2HDAC1PDCD1CD274
Hydrochloric Acid SCHEMBL16741194 0.96 PDCD1 (0.43) SMOHDAC2HDAC1PDCD1CD274
Hydrochloric Acid SCHEMBL2753179 0.96 PDCD1 (0.43) SMOHDAC2HDAC1PDCD1CD274
SCHEMBL20775921 0.82 MGLL (0.47) HDAC2HDAC1PDCD1CD274MGLL
SCHEMBL20778409 0.79 TDP1 (0.42) HDAC2HDAC1PDCD1CD274MGLL
SCHEMBL12443590 0.78 HPGD (0.60) SMOGAAKDM4ENPC1RAB9A
SCHEMBL13180950 0.77 SMO (0.51) SMOGAAKDM4ENPC1RAB9A
SCHEMBL13531866 0.77 HDAC2 (0.46) HDAC2HDAC1PDCD1CD274MGLL
SCHEMBL13424113 0.77 HPGD (0.55) SMOHDAC2HDAC1GAAKDM4E
SCHEMBL26020790 0.77 HDAC2 (0.42) HDAC2HDAC1PDCD1CD274MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B SMO 3815/4885HDAC2 1184/4885HDAC1 1053/4885

“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.