SCHEMBL4180717

SCHEMBL4180717

CNC(=O)C(C)(C)CCc1ccc(NC2(C#N)CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA14 Q9ULX7 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL28036800 0.88 GAA (0.47) GAACYP1A2CA12CA1CA2
SCHEMBL12527462 0.79 CYP1A2 (0.47) GAACYP1A2CA12CA1CA2
SCHEMBL12493846 0.79 CYP1A2 (0.47) GAACYP1A2CA12CA1CA2
SCHEMBL1715829 0.76 CYP1A2 (0.53) GAACYP1A2CA12CA1CA2
SCHEMBL12525349 0.75 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1715165 0.74 CYP1A2 (0.57) GAACYP1A2CA12CA1CA2
SCHEMBL547427 0.74 CYP1A2 (0.50) GAACYP1A2CA12CA1CA2
SCHEMBL548039 0.74 CYP1A2 (0.50) GAACYP1A2CA12CA1CA2
SCHEMBL5089500 0.73 CYP1A2 (0.55) GAACYP1A2CA12CA1CA2
SCHEMBL14930772 0.73 CYP1A2 (0.55) GAACYP1A2CA12CA1CA2

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 17 patents. 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-8680291-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-25 US disclosed
US-8680291-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-25 US disclosed
US-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-03-06 US 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
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 GAA 4715/4885CYP1A2 1363/4885CA12 237/4885
US-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, NR5A1 GAA 3773/4885CYP1A2 911/4885CA12 4443/4885
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR GAA 4715/4885CYP1A2 1363/4885CA12 237/4885

“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.