SCHEMBL16660927

SCHEMBL16660927

C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.53
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
AHR P35869 6/20 0.36
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL16661227 0.87 DGAT1 (0.44) DGAT1ALOX5APFEN1
SCHEMBL16661363 0.85 DGAT1 (0.52) DGAT1ALOX5APFEN1
SCHEMBL16660924 0.84 NR1H2 (0.39) DGAT1NR1H2NR1H3AHRTP53
SCHEMBL16661003 0.84 DGAT1 (0.75) DGAT1ALOX5APFEN1
SCHEMBL16660978 0.84 DGAT1 (0.74) DGAT1NR1H2NR1H3AHRALOX5AP
SCHEMBL16660837 0.81 DGAT1 (0.46) DGAT1ALOX5APFEN1
SCHEMBL16660858 0.81 DGAT1 (0.39) DGAT1
SCHEMBL25760802 0.81 DGAT1 (0.48) DGAT1ALOX5APFEN1
SCHEMBL20299983 0.80 DGAT1 (0.44) DGAT1
SCHEMBL16787895 0.80 DGAT1 (0.43) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
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.