SCHEMBL386371

SCHEMBL386371

Brc1cccc(OCCC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.54
KDM4E B2RXH2 6/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOB P27338 4/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
LMNA P02545 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL21616922 0.92 KDM4E (0.50) NFE2L2KDM4EPOLBGAAALDH1A1
SCHEMBL29486187 0.92 KDM4E (0.50) NFE2L2KDM4EPOLBGAAALDH1A1
SCHEMBL21617258 0.91 RAB9A (0.48) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL31504430 0.91 RAB9A (0.48) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL2209407 0.84 TLR4 (0.52) MAOBMAOA
SCHEMBL4569043 0.84 TLR4 (0.52) MAOBMAOA
SCHEMBL19399879 0.82 MAOB (0.50) MAOBMAOA
SCHEMBL4084395 0.81 NFE2L2 (0.54) NFE2L2MCHR1
SCHEMBL30674514 0.81 HRH3 (0.54) NFE2L2MEN1KMT2AHTTLMNA
SCHEMBL30674525 0.81 MEN1 (0.55) NFE2L2KDM4EGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP 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 (7 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT NFE2L2 2796/4885KDM4E 2134/4885POLB 2164/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 NFE2L2 1/4885KDM4E 2962/4885POLB 1994/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 NFE2L2 1630/4885KDM4E 1874/4885POLB 4236/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB NFE2L2 330/4885KDM4E 2136/4885POLB 2273/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 NFE2L2 2856/4885KDM4E 2748/4885POLB 1738/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A NFE2L2 4009/4885KDM4E 2823/4885POLB 1476/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 NFE2L2 1/4885KDM4E 2962/4885POLB 1994/4885

“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.