SCHEMBL1748466

SCHEMBL1748466

O=Cc1cc(Cl)cc2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.44
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
MAOB P27338 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CXCL12 P48061 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30933917 1.00 ERN1 (0.44) ERN1KDM4EPOLBMEN1PLA2G1B
SCHEMBL6002004 0.88 ERN1 (0.50) ERN1KDM4EPOLBMEN1PLA2G1B
SCHEMBL30902339 0.85 ERN1 (0.44) ERN1MAPTKMT2ATDP1MAOB
SCHEMBL1748269 0.85 ERN1 (0.44) ERN1MAPTKMT2ATDP1MAOB
SCHEMBL5318653 0.81 POLB (0.36) KDM4EPOLBMEN1PLA2G1BGAA
SCHEMBL22297792 0.78 ERN1 (0.40) ERN1KDM4EPOLBMEN1GAA
SCHEMBL29914868 0.78 ERN1 (0.40) ERN1KDM4EPOLBMEN1GAA
SCHEMBL10544843 0.76 ERN1 (0.42) ERN1TDP1PTPN1
SCHEMBL9868550 0.74 ERN1 (0.40) ERN1TDP1PTPN1
SCHEMBL1012582 0.72 KDM4E (0.61) ERN1KDM4EMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 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 (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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ERN1 4404/4885KDM4E 1616/4885POLB 4143/4885
US-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 ERN1 4299/4885KDM4E 1321/4885POLB 4594/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ERN1 4404/4885KDM4E 1616/4885POLB 4143/4885

“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.