SCHEMBL3659178

SCHEMBL3659178

COC(=O)CCCc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 5/20 0.46
KDM4E B2RXH2 1/20 0.44
PTGS2 P35354 1/20 0.43
GLA P06280 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6597479 0.85 CYP1A2 (0.47) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL3658927 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL7403134 0.84 TDP1 (0.54) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL3661590 0.83 CYP1A2 (0.51) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL12527468 0.83 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPTGAA
SCHEMBL22165300 0.82 MEN1 (0.49) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL3663803 0.81 ALDH1A1 (0.48) ALDH1A1TDP1MAPTPOLBGAA
SCHEMBL15228300 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MAPTKDM4EPOLB
SCHEMBL7654856 0.80 TDP1 (0.52) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL17708509 0.79 ALDH1A1 (0.45) ALDH1A1TDP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US disclosed
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US disclosed
EP-2683694-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2016-04-27 EP disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 US disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 US disclosed
EP-2397469-B1 Diarylhydantoin compounds UNIV CALIFORNIA (US) 2014-12-31 EP disclosed
EP-2397469-B1 Diarylhydantoin compounds UNIV CALIFORNIA (US) 2014-12-31 EP disclosed
US-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-03-06 US disclosed
EP-2620432-A2 Diarylhydantoin compounds The Regents Of the University of California (US) 2013-07-31 EP disclosed
WO-2012119559-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS,INC. (CN) 2012-09-13 WO disclosed
EP-2397469-A1 Diarylhydantoin compounds The Regents Of the University of California (US) 2011-12-21 EP disclosed
EP-2397469-A1 Diarylhydantoin compounds The Regents Of the University of California (US) 2011-12-21 EP disclosed
EP-2220050-A2 DIARYLHYDANTOIN COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS The Regents Of The University Of California (US) 2010-08-25 EP disclosed
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 US disclosed
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 US disclosed
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 US disclosed
WO-2009055053-A2 DIARYLHYDANTOIN COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 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 (3 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-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR ALDH1A1 543/4885TDP1 2468/4885MEN1 69/4885
US-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, NR5A1 ALDH1A1 450/4885TDP1 2019/4885MEN1 2561/4885
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR ALDH1A1 543/4885TDP1 2468/4885MEN1 69/4885

“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.