SCHEMBL3759840

SCHEMBL3759840

O=[C]OCc1cncc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
IDO1 P14902 4/20 0.37
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LPL P06858 1/20 0.31
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL2096262 0.80 IDO1 (0.57) DAOIDO1
SCHEMBL3759841 0.77 DAO (0.43) DAOCYP11B1CYP11B2IDO1GRIN1
SCHEMBL2087029 0.75 IDO1 (0.62) IDO1L3MBTL1
SCHEMBL14894739 0.74 DAO (0.42) DAOCYP11B1CYP11B2IDO1GRIN1
SCHEMBL27389566 0.74 HCAR2 (0.36) IDO1
SCHEMBL22788261 0.73 DAO (0.40) DAOCYP11B1CYP11B2IDO1GRIN1
SCHEMBL2094884 0.73 IDO1 (0.57) IDO1
SCHEMBL21327021 0.72 DAO (0.48) DAOCYP11B1CYP11B2IDO1GRIN1
SCHEMBL7547420 0.71 DAO (0.46) DAOCYP11B1CYP11B2IDO1GRIN1
SCHEMBL9610936 0.71 DAO (0.46) DAOCYP11B1CYP11B2IDO1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US 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 (1 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 DAO 3830/4885CYP11B1 1767/4885CYP11B2 1948/4885

“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.