SCHEMBL1748141

SCHEMBL1748141

COc1cc(CNc2cc(F)ccc2C(=O)C(F)(F)F)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
WDR5 P61964 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK10 P53779 1/20 0.39
ABCB1 P08183 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL5274599 0.88 CNR1 (0.40) KDM4EHTTTDP1MAPTMEN1
SCHEMBL1748251 0.81 ACLY (0.50) AURKARPS6KB1TDP1MAPT
SCHEMBL5389938 0.79 HTR6 (0.42) AURKARPS6KB1AURKBHIF1AALDH1A1
SCHEMBL475619 0.79 ADRB1 (0.46) AURKARPS6KB1AURKBALDH1A1HTT
Hydrochloric Acid SCHEMBL1748218 0.78 ADRB1 (0.45) AURKARPS6KB1AURKBALDH1A1HTT
SCHEMBL1748261 0.77 KMT2A (0.39) ALDH1A1HTTMAPTWDR5MEN1
SCHEMBL26767103 0.77 GAA (0.49) KDM4EMAPTMEN1KMT2A
SCHEMBL5276755 0.76 CDC7 (0.45) AURKARPS6KB1HTTMAPT
SCHEMBL1748250 0.75 SMN1; SMN2 (0.51) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL13245806 0.74 MAP2K4 (0.52) KDM4EALDH1A1MAPTMEN1KMT2A

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 9 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
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 AURKA 4266/4885RPS6KB1 1329/4885AURKB 3828/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B AURKA 4266/4885RPS6KB1 1329/4885AURKB 3828/4885

“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.