SCHEMBL13832500

SCHEMBL13832500

COc1cccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.67
MTNR1A P48039 7/20 0.57
PGR P06401 1/20 0.53
RAF1 P04049 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACACB O00763 1/20 0.47
MMP8 P22894 2/20 0.47
MMP3 P08254 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
AR P10275 1/20 0.46

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
SCHEMBL17350083 0.85 MTNR1B (0.74) MTNR1BMTNR1APGRRAF1ALDH1A1
SCHEMBL12594158 0.85 MTNR1B (0.46) MTNR1BALDH1A1MMP8MMP3KDM4E
SCHEMBL12593803 0.85 MTNR1B (0.46) MTNR1BMTNR1AALDH1A1MMP8MMP3
SCHEMBL13268428 0.83 MTNR1B (0.65) MTNR1BMTNR1APGRRAF1SMN1; SMN2
SCHEMBL30567123 0.83 MTNR1B (0.54) MTNR1BALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL17350097 0.81 XIAP (0.46) MTNR1BALDH1A1MMP8MMP3KDM4E
SCHEMBL19853243 0.80 MTNR1B (0.58) MTNR1BMTNR1APGRRAF1ALDH1A1
SCHEMBL14240928 0.80 MMP8 (0.47) MTNR1BMMP8MMP3KDM4EHPGD
SCHEMBL13832468 0.80 MTNR1B (0.60) MTNR1BMTNR1APGRRAF1ALDH1A1
SCHEMBL11637763 0.78 MTNR1B (0.80) MTNR1BMTNR1APGRRAF1ALDH1A1

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 9 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-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-20170065585-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2017-03-09 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-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

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 MTNR1B 1903/4885MTNR1A 2267/4885PGR 3975/4885
US-10632118-B2 Imidazolidinedione derivatives KCND3, KCNK3, KCNA3 MTNR1B 1903/4885MTNR1A 2267/4885PGR 3975/4885
US-20170065585-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MTNR1B 1903/4885MTNR1A 2267/4885PGR 3975/4885
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MTNR1B 1903/4885MTNR1A 2267/4885PGR 3975/4885
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MTNR1B 1903/4885MTNR1A 2267/4885PGR 3975/4885
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MTNR1B 1146/4885MTNR1A 1433/4885PGR 3761/4885

“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.