SCHEMBL3721781

SCHEMBL3721781

O=[N+]([O-])c1ccc(CCCC2=NCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.54
▸ HTR1D P28221 2/20 0.50
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ NISCH Q9Y2I1 1/20 0.49
▸ KCNJ1 P48048 3/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGIR P43119 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL4714075 0.91 MAOA (0.59) GFERHTR1DMAOAMAOBNISCH
Hydrochloric Acid SCHEMBL27650682 0.91 MAOA (0.59) GFERHTR1DMAOAMAOBNISCH
Hydrochloric Acid SCHEMBL4714070 0.90 MAOA (0.58) GFERHTR1DMAOAMAOBNISCH
SCHEMBL12494943 0.81 GFER (0.44) GFERMAOAMAOBNISCHPTGIR
SCHEMBL12495128 0.79 GFER (0.40) GFERHTR1DMAOAMAOBNISCH
SCHEMBL30758863 0.78 TSHR (0.69) KCNJ1KCNH2TSHRSIGMAR1POLB
SCHEMBL23097221 0.77 HTR1D (0.60) HTR1DMAOAMAOBNISCHTSHR
SCHEMBL12495025 0.77 RAD52 (0.57) GFERHTR1DMAOAMAOBNISCH
Hydrochloric Acid SCHEMBL3060877 0.77 NISCH (0.61) GFERMAOAMAOBNISCH
SCHEMBL9575326 0.77 NISCH (0.80) HTR1DMAOAMAOBNISCHKCNH2

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 18 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
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-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-8680291-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-25 — — US disclosed
EP-2620432-A2 Diarylhydantoin compounds The Regents Of the University of California (US) 2013-07-31 — — EP 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
WO-2009055053-A2 DIARYLHYDANTOIN COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 — — WO 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 GFER 3009/4885HTR1D 1773/4885MAOA 1281/4885
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR GFER 3009/4885HTR1D 1773/4885MAOA 1281/4885

“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.

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