SCHEMBL10176555

SCHEMBL10176555

COC(=O)C(C)(C)COc1ccc(-c2ccc(C(=N)N)cn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.52
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMPRSS15 P98073 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NNMT P40261 1/20 0.40

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
Acetic Acid SCHEMBL9936510 0.97 DGAT1 (0.49) DGAT1SOAT1KCNH2TMPRSS15MKNK1
SCHEMBL16661050 0.91 DGAT1 (0.59) DGAT1TMPRSS15MKNK1MKNK2
SCHEMBL10176814 0.87 DGAT1 (0.53) DGAT1TMPRSS15
SCHEMBL10176830 0.85 DGAT1 (0.47) DGAT1TMPRSS15MKNK1MKNK2
Acetic Acid SCHEMBL9935925 0.84 DGAT1 (0.52) DGAT1TMPRSS15
SCHEMBL1444290 0.83 DGAT1 (0.53) DGAT1SOAT1KCNH2
SCHEMBL16660947 0.83 MKNK1 (0.63) DGAT1SOAT1KCNH2MKNK1MKNK2
SCHEMBL10177237 0.81 DGAT1 (0.49) DGAT1MKNK1MKNK2
SCHEMBL15293797 0.81 DGAT1 (0.49) DGAT1
SCHEMBL20428788 0.81 DGAT1 (0.54) DGAT1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO 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-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885SOAT1 3/4885KCNH2 2888/4885
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885SOAT1 3/4885KCNH2 2888/4885

“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.