SCHEMBL16660837

SCHEMBL16660837

C[Si](C)(C)CCOCn1nc(-c2ccc(Cl)nc2)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.46
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
P2RX7 Q99572 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL20428546 0.89 HDAC1 (0.38) DGAT1HDAC1HDAC6HDAC5HDAC8
SCHEMBL16660965 0.84 DGAT1 (0.41) DGAT1HDAC1HDAC6HDAC5
SCHEMBL16661286 0.83 DGAT1 (0.44) DGAT1ALOX5APFEN1
SCHEMBL25760802 0.82 DGAT1 (0.48) DGAT1ALOX5APFEN1
SCHEMBL16660927 0.81 DGAT1 (0.53) DGAT1ALOX5APFEN1
SCHEMBL25760827 0.81 DGAT1 (0.45) DGAT1ALOX5APFEN1P2RX7
SCHEMBL16660943 0.81 DGAT1 (0.49) DGAT1HDAC1HDAC6HDAC5ALOX5AP
SCHEMBL16661210 0.81 DGAT1 (0.38) DGAT1
SCHEMBL16661227 0.81 DGAT1 (0.44) DGAT1HDAC6ALOX5APFEN1P2RX7
SCHEMBL20428574 0.80 DGAT1 (0.37) DGAT1HDAC1HDAC6HDAC5

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 1688/4885HDAC1 36/4885HDAC6 1434/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885HDAC1 36/4885HDAC6 1434/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885HDAC1 36/4885HDAC6 1434/4885

“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.