SCHEMBL10073489

SCHEMBL10073489

CNC(=O)CCCc1ccc(N2C(=S)N(c3ccc(C#N)c(C)c3)C(=O)C23CCC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.64
NR3C1 P04150 1/20 0.45
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42

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
SCHEMBL7036953 0.95 AR (0.63) ARNR3C1GABRPGABRDGABRA1
SCHEMBL10072715 0.92 AR (0.53) ARNR3C1
SCHEMBL7033850 0.91 AR (0.54) ARNR3C1
SCHEMBL13890757 0.91 AR (0.53) ARNR3C1GABRPGABRDGABRA1
SCHEMBL7035077 0.90 AR (0.52) ARNR3C1GABRPGABRDGABRA1
SCHEMBL30184873 0.89 AR (0.76) ARNR3C1
SCHEMBL547082 0.89 AR (0.76) ARNR3C1
SCHEMBL10072563 0.88 AR (0.51) ARNR3C1
SCHEMBL10155373 0.86 AR (0.56) ARNR3C1
SCHEMBL13973946 0.86 AR (0.51) ARNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295944-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 US disclosed
US-20120190718-A1 DIARYLTHIOHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 US disclosed
US-8110594-B2 Diarylthiohydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-07 US disclosed
US-20100210665-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 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
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 US 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

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

For each of this compound's patents that has machine-readable text (5 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-20120295944-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS CDK4, CCNH, VHL AR 113/4885NR3C1 1031/4885GABRP 4700/4885
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 AR 1/4885NR3C1 37/4885GABRP 1272/4885
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR AR 3/4885NR3C1 682/4885GABRP 3933/4885
US-20120190718-A1 DIARYLTHIOHYDANTOIN COMPOUNDS AR, SHBG, PTMS AR 1/4885NR3C1 252/4885GABRP 3664/4885
US-20100210665-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885NR3C1 765/4885GABRP 4199/4885

“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.