SCHEMBL547427

SCHEMBL547427

N#CC1(Nc2ccc(CCCC(N)=O)cc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA13 Q8N1Q1 3/20 0.43
CA14 Q9ULX7 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SPHK1 Q9NYA1 11/20 0.38
CTSC P53634 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL548039 0.90 CYP1A2 (0.50) CYP1A2GAACA12CA1CA2
SCHEMBL12493846 0.86 CYP1A2 (0.47) CYP1A2GAACA12CA1CA2
SCHEMBL547624 0.85 CYP1A2 (0.46) CYP1A2GAACA12CA1CA2
SCHEMBL1715829 0.84 CYP1A2 (0.53) CYP1A2GAACA12CA1CA2
SCHEMBL14930772 0.83 CYP1A2 (0.55) CYP1A2GAACA12CA1CA2
SCHEMBL28036800 0.81 GAA (0.47) CYP1A2GAACA12CA1CA2
SCHEMBL5089500 0.81 CYP1A2 (0.55) CYP1A2GAACA12CA1CA2
SCHEMBL12494506 0.81 CYP1A2 (0.55) CYP1A2GAACA12CA1CA2
SCHEMBL11893308 0.80 CYP1A2 (0.51) CYP1A2GAACA12CA1CA2
SCHEMBL1715165 0.79 CYP1A2 (0.57) CYP1A2GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013187-B1 DIARYLTHIOHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2014-10-29 EP claimed
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 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-20240132452-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-25 US disclosed
US-20230109968-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-13 US disclosed
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 US disclosed
US-20200079741-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-12 US disclosed
US-20190210974-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-11 US disclosed
US-20180086718-A1 Diarylhydantoin Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 US disclosed
EP-3106162-A1 DIARYLHYDANTOIN COMPOUNDS AS ANDROGEN RECEPTOR ANTAGONISTS FOR TREATMENT OF CANCER The Regents of the University of California (US) 2016-12-21 EP disclosed
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 disclosed
EP-2444085-A1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer The Regents of The University of California (US) 2012-04-25 EP disclosed
US-8110594-B2 Diarylthiohydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-07 US disclosed
EP-1893196-B1 DIARYLHYDANTOIN COMPOUND UNIV CALIFORNIA (US) 2012-01-18 EP disclosed
US-20100210665-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 US disclosed
US-20100172975-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 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-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
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 (12 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 4854/4885CA12 342/4885
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 4870/4885CA12 2570/4885
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 4863/4885CA12 1461/4885
US-20180086718-A1 Diarylhydantoin Compounds BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885CA12 342/4885
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 4869/4885CA12 793/4885
US-20100172975-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS CDK4, CCNH, VHL CYP1A2 3479/4885GAA 4448/4885CA12 2918/4885
US-20190210974-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885CA12 342/4885
US-20200079741-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885CA12 342/4885
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS FAP, LEF1, LPXN CYP1A2 668/4885GAA 3990/4885CA12 392/4885
US-20230109968-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885CA12 342/4885
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885CA12 342/4885
US-20100210665-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG CYP1A2 1177/4885GAA 4854/4885CA12 342/4885

“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.