SCHEMBL16660874

SCHEMBL16660874

C[Si](C)(C)CCOCn1nc(-c2ccccc2)nc1-c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.64
NR1H2 P55055 7/20 0.64
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45
DGAT1 O75907 2/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL16660884 1.00 NR1H3 (0.64) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL25171705 0.86 NR1H3 (0.47) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL25120640 0.85 NR1H3 (0.43) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL25120641 0.85 NR1H3 (0.46) NR1H3NR1H2LMNAALDH1A1GAA
SCHEMBL16660926 0.79 DGAT1 (0.49) NR1H3NR1H2DGAT1
SCHEMBL18541120 0.79 DGAT1 (0.40) NR1H3NR1H2LMNAALDH1A1SMN1; SMN2
SCHEMBL16661342 0.79 DGAT1 (0.44) NR1H3NR1H2LMNAALDH1A1SMN1; SMN2
SCHEMBL16661015 0.78 DGAT1 (0.56) NR1H3NR1H2DGAT1
SCHEMBL16660927 0.78 DGAT1 (0.53) NR1H3NR1H2DGAT1
SCHEMBL16661014 0.78 DGAT1 (0.41) NR1H3NR1H2NPC1RAB9ADGAT1

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 NR1H3 138/4885NR1H2 75/4885LMNA 2943/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 NR1H3 138/4885NR1H2 75/4885LMNA 2943/4885

“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.