SCHEMBL9967755

SCHEMBL9967755

C[N+](C)(C)CC(=O)N/N=C/c1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.62
DUSP3 P51452 1/20 0.62
PTPN5 P54829 1/20 0.62
PTPN11 Q06124 1/20 0.62
CYP1A2 P05177 2/20 0.61
ALOX15 P16050 1/20 0.61
CASP1 P29466 1/20 0.61
HIF1A Q16665 1/20 0.61
KDM4E B2RXH2 9/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 1/20 0.57
HTT P42858 4/20 0.56
GAA P10253 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
POLB P06746 1/20 0.56
RAD52 P43351 1/20 0.56
TP53 P04637 1/20 0.56

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 SCHEMBL16241976 0.99 CTRC (0.60) CTRCDUSP3PTPN5PTPN11CYP1A2
Hydrochloric Acid SCHEMBL16241975 0.99 CTRC (0.60) CTRCDUSP3PTPN5PTPN11CYP1A2
SCHEMBL18850907 0.89 CTRC (0.59) CTRCDUSP3PTPN5PTPN11KDM4E
SCHEMBL15127235 0.83 CTRC (0.68) CTRCDUSP3PTPN5PTPN11KDM4E
SCHEMBL6635845 0.83 CTRC (0.68) CTRCDUSP3PTPN5PTPN11KDM4E
SCHEMBL6635848 0.83 CTRC (0.68) CTRCDUSP3PTPN5PTPN11KDM4E
SCHEMBL15275529 0.80 KDM4E (0.76) CTRCDUSP3PTPN5PTPN11KDM4E
SCHEMBL18850756 0.80 CTRC (0.68) CTRCDUSP3PTPN5PTPN11KDM4E
SCHEMBL16141587 0.79 CTRC (0.62) CTRCDUSP3PTPN5PTPN11KDM4E
SCHEMBL15003846 0.79 KDM4E (0.74) CTRCDUSP3PTPN5PTPN11KDM4E

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-3524347-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2019-08-14 EP disclosed
EP-2271426-B1 USE OF HYDRAZIDE COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2019-02-20 EP disclosed
US-9533296-B2 Bleach catalysts BASF SE (DE) 2017-01-03 US disclosed
US-20160136627-A1 Bleach Catalysts BASF SE (DE) 2016-05-19 US disclosed
US-9296713-B2 Bleach catalysts BASF SE (DE) 2016-03-29 US disclosed
US-20150225357-A1 BLEACH CATALYSTS HENKEL AG & CO. KGAA (DE) 2015-08-13 US disclosed
US-9051285-B2 Bleach catalysts BASF SE (DE) 2015-06-09 US disclosed
US-8791298-B2 Use of metal hydrazide complex compounds as oxidation catalysts BASF SE (DE) 2014-07-29 US disclosed
US-20130281353-A1 Use of Metal Hydrazide Complex Compounds as Oxidation Catalysts BASF SE (DE) 2013-10-24 US disclosed
US-20130261041-A1 BLEACH CATALYSTS HENKEL AG & CO. KGAA (DE) 2013-10-03 US disclosed
US-8492324-B2 Use of metal hydrazide complex compounds as oxidation catalysts BASF SE (DE) 2013-07-23 US disclosed
WO-2012080088-A1 BLEACH CATALYSTS BASF SE (DE) 2012-06-21 WO disclosed
US-20110071066-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2011-03-24 US disclosed
WO-2009124855-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2009-10-15 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 (4 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-20110071066-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS SOD1, H1-4, H1-5 CTRC 1583/4885DUSP3 4266/4885PTPN5 2629/4885
US-20160136627-A1 Bleach Catalysts APEH, H1-4, ALKBH2 CTRC 3021/4885DUSP3 2409/4885PTPN5 2880/4885
US-20130261041-A1 BLEACH CATALYSTS APEH, H1-4, ALKBH2 CTRC 3021/4885DUSP3 2409/4885PTPN5 2880/4885
US-20150225357-A1 BLEACH CATALYSTS CAT, APEH, ALKBH2 CTRC 3047/4885DUSP3 2793/4885PTPN5 3348/4885

“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.