SCHEMBL16660846

SCHEMBL16660846

CC(C)Oc1nc(-c2ccc(Br)cc2)n(COCC[Si](C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.39
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
MALT1 Q9UDY8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
TARBP2 Q15633 1/20 0.30

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
SCHEMBL20428583 0.85 NR1H2 (0.36) NR1H2NR1H3MALT1
SCHEMBL16661014 0.84 DGAT1 (0.41) DGAT1NR1H2NR1H3MALT1TARBP2
SCHEMBL16660852 0.79 DGAT1 (0.50) DGAT1NR1H2NR1H3
SCHEMBL16660926 0.78 DGAT1 (0.49) DGAT1NR1H2NR1H3TARBP2
SCHEMBL18541120 0.78 DGAT1 (0.40) DGAT1NR1H2NR1H3ALDH1A1TARBP2
SCHEMBL16660884 0.77 NR1H3 (0.64) DGAT1NR1H2NR1H3ALDH1A1GAA
SCHEMBL16660874 0.77 NR1H3 (0.64) DGAT1NR1H2NR1H3ALDH1A1GAA
SCHEMBL16660960 0.76 DGAT1 (0.38) DGAT1NR1H2NR1H3
SCHEMBL25120640 0.74 NR1H3 (0.43) DGAT1NR1H2NR1H3ALDH1A1GAA
SCHEMBL16660867 0.73 DGAT1 (0.61) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885NR1H2 75/4885NR1H3 138/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885NR1H2 75/4885NR1H3 138/4885

“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.