SCHEMBL13720495

SCHEMBL13720495

CCOc1cc(Oc2ccc(NC(=O)[C@H](N)CC)cc2)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB1 P16118 7/20 0.47
PFKFB3 Q16875 6/20 0.47
PFKFB2 O60825 5/20 0.47
NSD2 O96028 2/20 0.47
AS3MT Q9HBK9 2/20 0.47
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL12594168 1.00 PFKFB1 (0.47) PFKFB1PFKFB3PFKFB2NSD2AS3MT
SCHEMBL12594169 0.90 AR (0.52) PFKFB1PFKFB3PFKFB2NSD2AS3MT
SCHEMBL13720420 0.90 AR (0.52) PFKFB1PFKFB3PFKFB2NSD2AS3MT
SCHEMBL21908517 0.86 PFKFB3 (0.46) PFKFB1PFKFB3PFKFB2NSD2AS3MT
SCHEMBL13721456 0.86 PFKFB1 (0.43) PFKFB1PFKFB3PFKFB2NSD2AS3MT
SCHEMBL12594098 0.84 TDP1 (0.44) PFKFB1PFKFB3PFKFB2NSD2AS3MT
SCHEMBL12594099 0.82 PFKFB2 (0.44) PFKFB1PFKFB3PFKFB2MAPTS1PR1
SCHEMBL17536369 0.81 MTNR1B (0.56) PFKFB1PFKFB3PFKFB2NSD2AS3MT
SCHEMBL13832561 0.81 CTSS (0.44) PFKFB1PFKFB3PFKFB2AAK1
SCHEMBL17554786 0.81 PFKFB3 (0.40) PFKFB1PFKFB3PFKFB2F11KLKB1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2020-05-28 US disclosed
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2020-05-28 US disclosed
US-10632118-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2020-04-28 US disclosed
US-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-01-25 US disclosed
US-9849131-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-9849131-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-9849131-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170065585-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2017-03-09 US disclosed
US-20170065585-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2017-03-09 US disclosed
US-20170065585-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2017-03-09 US disclosed
EP-2509961-B1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LTD (GB) 2016-03-09 EP disclosed
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 US disclosed
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 US disclosed
US-9216967-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2015-12-22 US disclosed
US-9216967-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2015-12-22 US disclosed
US-8722695-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2014-05-13 US disclosed
US-8722695-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2014-05-13 US disclosed
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2012-11-15 US disclosed
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2012-11-15 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 (6 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-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 PFKFB1 2930/4885PFKFB3 2098/4885PFKFB2 3063/4885
US-10632118-B2 Imidazolidinedione derivatives KCND3, KCNK3, KCNA3 PFKFB1 2930/4885PFKFB3 2098/4885PFKFB2 3063/4885
US-20170065585-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 PFKFB1 2930/4885PFKFB3 2098/4885PFKFB2 3063/4885
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 PFKFB1 2930/4885PFKFB3 2098/4885PFKFB2 3063/4885
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 PFKFB1 2930/4885PFKFB3 2098/4885PFKFB2 3063/4885
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 PFKFB1 3660/4885PFKFB3 2765/4885PFKFB2 3704/4885

“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.