SCHEMBL1748217

SCHEMBL1748217

COc1cc(Cl)cc(C(C)=O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.43
ABCB11 O95342 1/20 0.42
GAA P10253 1/20 0.42
ERN1 O75460 1/20 0.42
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL10355676 0.85 KDM4E (0.71) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL11179253 0.85 KDM4E (0.54) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL11179872 0.84 KDM4E (0.56) KDM4EHTTALDH1A1LMNAHPGD
SCHEMBL8427153 0.83 KDM4E (0.51) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL12316477 0.81 ERN1 (0.54) KDM4EHTTALDH1A1LMNAMAPT
SCHEMBL10743858 0.80 ABCB11 (0.41) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL9929102 0.80 HSD17B10 (0.50) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL10497610 0.79 CYP3A4 (0.53) HTTALDH1A1MAPTHPGDGAA
SCHEMBL25218326 0.78 KDM4E (0.49) KDM4EHTTALDH1A1MAPTGAA
SCHEMBL1189451 0.78 FAAH (0.52) HTTLMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014109713-A1 FLUORESCENT CELL CYCLE PROBE HAVING M-PHASE SPECIFICITY NATIONAL UNIVERISTY OF SINGAPORE (SG) 2014-07-17 WO disclosed
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-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
WO-2009115393-A1 PROCESS FOR THE PREPARATION OF N-(1-PHENYLETHYL)ANILINES, SALTS, AND SOLVATES THEREOF USEFUL AS SEROTONIN 5-HT6 ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S. A. (ES) 2009-09-24 WO disclosed
EP-2103596-A1 Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-23 EP 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

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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B KDM4E 1616/4885HTT 375/4885ALDH1A1 1488/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B KDM4E 1616/4885HTT 375/4885ALDH1A1 1488/4885

“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.