SCHEMBL17536366

SCHEMBL17536366

CCCC(=O)Nc1ccc(Oc2ccc(C#N)c(OC)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.63
MTNR1A P48039 7/20 0.63
AR P10275 2/20 0.55
PFKFB2 O60825 4/20 0.51
PFKFB1 P16118 4/20 0.51
PFKFB3 Q16875 4/20 0.51
ALDH1A1 P00352 1/20 0.47
IMPDH2 P12268 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 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
SCHEMBL17536369 0.90 MTNR1B (0.56) MTNR1BMTNR1APFKFB2PFKFB1PFKFB3
SCHEMBL17350061 0.86 MTNR1B (0.51) MTNR1BMTNR1AARCYP1A2CYP2C19
SCHEMBL4171293 0.85 MTNR1B (0.58) MTNR1BMTNR1APFKFB2PFKFB1PFKFB3
SCHEMBL17536365 0.83 AR (0.54) MTNR1BMTNR1AARPFKFB2PFKFB1
SCHEMBL12594169 0.81 AR (0.52) MTNR1BMTNR1AARPFKFB2PFKFB1
SCHEMBL13720420 0.81 AR (0.52) MTNR1BMTNR1AARPFKFB2PFKFB1
SCHEMBL17350077 0.79 PFKFB2 (0.49) MTNR1BMTNR1APFKFB2PFKFB1PFKFB3
SCHEMBL1979562 0.79 AR (0.55) MTNR1BMTNR1AARPFKFB2PFKFB1
SCHEMBL29437996 0.79 AR (0.55) MTNR1BMTNR1AARPFKFB2PFKFB1
SCHEMBL21908141 0.78 AR (0.54) MTNR1BMTNR1AARPFKFB2PFKFB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 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 (1 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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MTNR1B 1903/4885MTNR1A 2267/4885AR 4780/4885

“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.