SCHEMBL547345

SCHEMBL547345

CNC(=O)c1ccc(NC2(C#N)CCCC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
AR P10275 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL17117380 0.99 GAA (0.47) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL547834 0.97 CYP1A2 (0.44) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL17791499 0.92 CYP1A2 (0.39) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL16174758 0.89 CYP1A2 (0.42) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL22053390 0.88 GAA (0.37) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL19129032 0.88 GAA (0.38) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL17744910 0.85 CYP1A2 (0.43) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL16868371 0.85 AR (0.42) GAANPC1ALDH1A1LMNATP53
SCHEMBL546847 0.85 CYP1A2 (0.50) CYP1A2GAANPC1ALDH1A1LMNA
SCHEMBL16182384 0.85 CYP1A2 (0.47) CYP1A2GAANPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2013187-A2 DIARYLTHIOHYDANTOIN COMPOUNDS The Regents of the University of California (US) 2009-01-14 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
WO-2007127010-A9 DIARYLTHIOHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2008-05-22 WO claimed
EP-1893196-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-05 EP claimed
WO-2007127010-A2 DIARYLTHIOHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-08 WO 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-20250333385-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-10-30 US disclosed
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
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
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
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 (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-20240132452-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885NPC1 2841/4885
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 CYP1A2 1469/4885GAA 4870/4885NPC1 2625/4885
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 CYP1A2 515/4885GAA 4863/4885NPC1 1805/4885
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 CYP1A2 2341/4885GAA 4869/4885NPC1 3746/4885
US-20250333385-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885NPC1 2841/4885
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS FAP, LEF1, LPXN CYP1A2 668/4885GAA 3990/4885NPC1 595/4885
US-20230109968-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885NPC1 2841/4885

“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.