SCHEMBL546977

SCHEMBL546977

N#Cc1cc(NC=O)ccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.56
TAS2R14 Q9NYV8 1/20 0.41
AR P10275 11/20 0.39
CNR2 P34972 1/20 0.39
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL20040969 0.88 SLC22A12 (0.55) SLC22A12TAS2R14ARCNR2
SCHEMBL546976 0.81 SLC22A12 (0.55) SLC22A12TAS2R14AR
SCHEMBL8410428 0.80 ALDH1A1 (0.44) SLC22A12
SCHEMBL14730465 0.79 GRM4 (0.48) SLC22A12ARCNR2
SCHEMBL31173121 0.77 KIF11 (0.47) SLC22A12AR
SCHEMBL16682648 0.77 KIF11 (0.47) SLC22A12AR
SCHEMBL19287089 0.77 KIF11 (0.50) SLC22A12CCNE2CDK4CCND1CCNE1
SCHEMBL8410032 0.75 SLC22A12 (0.51) SLC22A12
SCHEMBL19144095 0.75 EGLN2 (0.50)
SCHEMBL23974261 0.75 NOTUM (0.46) TAS2R14CCNE2CDK4CCND1CCNE1

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003328-A Diaryl hydantoin compounds 加利福尼亚大学董事会 2023-04-25 CN claimed
EP-3020706-A1 DIARYLTHIOHYDANTOIN COMPOUNDS USEFUL FOR THE TREATMENT OF A HYPERPROLIFERATIVE DISORDER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-18 EP claimed
WO-2015042170-A1 COMPOSITIONS AND USES OF COMBINATIONS OF DIM-RELATED INDOLES AND SELECTED ANTI-ANDROGEN COMPOUNDS WAYNE STATE UNIVERSITY (US) 2015-03-26 WO claimed
WO-2013067142-A1 COMPOUNDS AND TREATMENT METHODS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-10 WO claimed
EP-2561871-A1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer The Regents of The University of California (US) 2013-02-27 EP claimed
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US claimed
EP-1893196-A4 DIARYLHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2009-03-18 EP claimed
JP-2008540523-A 2008-11-20 JP claimed
US-20080139634-A2 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; androgen receptor antagonists with minimal agonist activity REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-06-12 US claimed
EP-1893196-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-05 EP claimed
US-20070254933-A1 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; selective androgen receptor modulators; non-steroidal, non-toxic, and tissue selective REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 US claimed
US-20070004753-A1 N-methyl-4-{4-[7-(4-cyano-3 -trifluoromethylphenyl)-6,8-dioxo-5,7-diazaspiro[3.4]oct-5-yl]-phenyl}butyramide; for treatment of hormone refractory prostate cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-04 US claimed
WO-2006124118-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-23 WO claimed
US-20240132452-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-25 US disclosed
CN-116003328-A Diaryl hydantoin compounds 加利福尼亚大学董事会 2023-04-25 CN disclosed
US-20230109968-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-13 US disclosed
WO-2007127010-A2 DIARYLTHIOHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-08 WO disclosed
US-20070254933-A1 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; selective androgen receptor modulators; non-steroidal, non-toxic, and tissue selective REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 US disclosed
US-20070004753-A1 N-methyl-4-{4-[7-(4-cyano-3 -trifluoromethylphenyl)-6,8-dioxo-5,7-diazaspiro[3.4]oct-5-yl]-phenyl}butyramide; for treatment of hormone refractory prostate cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-04 US disclosed
WO-2006124118-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-23 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 (6 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-20240132452-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG SLC22A12 1831/4885TAS2R14 4346/4885AR 2/4885
US-20080139634-A2 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; androgen receptor antagonists with minimal agonist activity AR, LHCGR, KLK3 SLC22A12 3499/4885TAS2R14 2294/4885AR 1/4885
US-20070254933-A1 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; selective androgen receptor modulators; non-steroidal, non-toxic, and tissue selective AR, NR5A1, SHBG SLC22A12 2383/4885TAS2R14 2056/4885AR 1/4885
US-20070004753-A1 N-methyl-4-{4-[7-(4-cyano-3 -trifluoromethylphenyl)-6,8-dioxo-5,7-diazaspiro[3.4]oct-5-yl]-phenyl}butyramide; for treatment of hormone refractory prostate cancer AR, BRDT, GNRHR SLC22A12 3165/4885TAS2R14 2461/4885AR 1/4885
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS FAP, LEF1, LPXN SLC22A12 958/4885TAS2R14 4156/4885AR 11/4885
US-20230109968-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG SLC22A12 1831/4885TAS2R14 4346/4885AR 2/4885

“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.