SCHEMBL16660945

SCHEMBL16660945

C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.58
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
WDR5 P61964 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL16787842 0.96 DGAT1 (0.54) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL16661083 0.91 DGAT1 (0.46) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL21064796 0.88 DGAT1 (0.46) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL16660841 0.86 DGAT1 (0.46) DGAT1MAPT
SCHEMBL20428678 0.83 DGAT1 (0.57) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL21064872 0.83 DGAT1 (0.57) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL9935393 0.83 DGAT1 (0.69) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL21064766 0.82 DGAT1 (0.57) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL21064767 0.81 DGAT1 (0.58) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL20428490 0.81 DGAT1 (0.56) DGAT1ENPP3ENPP1KDM4EALDH1A1

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
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US 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 (3 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 1688/4885ENPP3 4854/4885ENPP1 4614/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885ENPP3 4854/4885ENPP1 4614/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885ENPP3 4854/4885ENPP1 4614/4885

“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.