Hypochlorous Acid

Hypochlorous Acid

SCHEMBL3319939

CN(C)CCOc1nn2ccccc2c1N.OCl

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
GUCY1B2 O75343 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
GUCY1A2 P33402 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1840855 0.96 KAT2B (0.45) KAT2BKDM4ECYP1A2CYP2D6GUCY1B2
Hydrochloric Acid SCHEMBL3317178 0.95 KAT2B (0.44) KAT2BKDM4ECYP1A2CYP2D6GUCY1B2
Hydrochloric Acid SCHEMBL1840270 0.95 KAT2B (0.44) KAT2BKDM4ECYP1A2CYP2D6GUCY1B2
SCHEMBL4411507 0.90 HRH3 (0.49) KAT2BKDM4ECYP1A2CYP2D6GUCY1B2
SCHEMBL10118724 0.85 ALDH1A1 (0.37) KAT2BKDM4ECYP1A2CYP2D6GUCY1B2
SCHEMBL18560580 0.84 EGFR (0.35) KAT2BKDM4ECYP1A2CYP2D6GUCY1B2
SCHEMBL1844081 0.82 BCHE (0.40) KDM4ECYP1A2CYP2D6GUCY1B2CHRM2
SCHEMBL18560588 0.81 EGFR (0.38) KDM4ECYP1A2CYP2D6GUCY1B2CHRM2
SCHEMBL19680477 0.81 KAT2B (0.46) KAT2BKDM4ECYP1A2CYP2D6GUCY1B2
Hydrochloric Acid SCHEMBL1844346 0.81 BCHE (0.39) KDM4ECYP1A2CYP2D6GUCY1B2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7857864-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivative L'OREAL S.A. (FR) 2010-12-28 US disclosed
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE L'OREAL S.A. (FR) 2010-05-13 US disclosed
US-7635394-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2009-12-22 US disclosed
US-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2007-06-28 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 (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-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives KRT18, MARK1, MARK2 KAT2B 1299/4885KDM4E 1442/4885CYP1A2 1013/4885
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 KAT2B 1262/4885KDM4E 1393/4885CYP1A2 1080/4885

“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.