SCHEMBL3661590

SCHEMBL3661590

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.44
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP14 P50281 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
SCHEMBL12527468 0.88 ALDH1A1 (0.49) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL17708509 0.87 ALDH1A1 (0.45) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4197255 0.84 CYP1A2 (0.71) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4369634 0.83 CYP1A2 (0.53) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL3658927 0.83 ALDH1A1 (0.48) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL3663803 0.83 ALDH1A1 (0.48) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL3659178 0.83 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1MAPTMEN1
SCHEMBL2889685 0.83 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL2033346 0.83 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4073468 0.82 CYP1A2 (0.68) CYP1A2ALDH1A1TDP1L3MBTL1MAPT

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 29 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
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-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-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
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 (2 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 CYP1A2 1363/4885ALDH1A1 543/4885TDP1 2468/4885
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR CYP1A2 1363/4885ALDH1A1 543/4885TDP1 2468/4885

“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.