SCHEMBL547834

SCHEMBL547834

CNC(=O)c1ccc(NC2(C#N)CCC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 5/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 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
SCHEMBL547345 0.97 CYP1A2 (0.48) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL17117380 0.96 GAA (0.47) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL16174758 0.92 CYP1A2 (0.42) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL17791499 0.92 CYP1A2 (0.39) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL22053390 0.88 GAA (0.37) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL19129032 0.88 GAA (0.38) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL17744910 0.88 CYP1A2 (0.43) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL16182384 0.87 CYP1A2 (0.47) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL13267369 0.86 CYP1A2 (0.46) CYP1A2GAAALDH1A1NPC1RAB9A
SCHEMBL12456428 0.86 CYP1A2 (0.46) CYP1A2GAAALDH1A1NPC1RAB9A

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 187 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
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
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
US-20250333385-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-10-30 US disclosed
US-20250230139-A1 Novel Process and Intermediate for the Preparation of Apalutamide BDR LIFESCIENCES PRIVATE LIMITED (IN) 2025-07-17 US disclosed
EP-4504715-A1 NOVEL PROCESS AND INTERMEDIATE FOR THE PREPARATION OF APALUTAMIDE BDR Lifesciences Private Limited (IN) 2025-02-12 EP disclosed
CN-119301108-A New process and intermediates for the preparation of apaluramine BDR生命科学私人有限公司 2025-01-10 CN disclosed
US-20240293383-A1 SUBSTITUTED DIAZASPIROALKANES AS ANDROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-09-05 US disclosed
EP-4385574-A2 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES The Regents of the University of California (US) 2024-06-19 EP disclosed
US-20240132452-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-25 US disclosed
US-7709517-B2 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) 2010-05-04 US disclosed
EP-2013187-A2 DIARYLTHIOHYDANTOIN COMPOUNDS The Regents of the University of California (US) 2009-01-14 EP disclosed
WO-2008119015-A2 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-02 WO disclosed
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 disclosed
WO-2007126765-A2 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-08 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 4854/4885ALDH1A1 911/4885
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 4870/4885ALDH1A1 812/4885
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 4863/4885ALDH1A1 579/4885
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 4869/4885ALDH1A1 1572/4885
US-20240293383-A1 SUBSTITUTED DIAZASPIROALKANES AS ANDROGEN RECEPTOR MODULATORS AR, HRAS, NR5A1 CYP1A2 2099/4885GAA 4726/4885ALDH1A1 498/4885
US-20250230139-A1 Novel Process and Intermediate for the Preparation of Apalutamide PDE8B, PDE8A, PGA5 CYP1A2 545/4885GAA 69/4885ALDH1A1 1124/4885
US-20250333385-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885ALDH1A1 911/4885
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS FAP, LEF1, LPXN CYP1A2 668/4885GAA 3990/4885ALDH1A1 550/4885

“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.