SCHEMBL3759841

SCHEMBL3759841

O=COCc1cncc(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 1/20 0.40
CYP11B2 P19099 1/20 0.40
MGLL Q99685 1/20 0.39
IDO1 P14902 4/20 0.37
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
APP P05067 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
ALDH1A1 P00352 2/20 0.32
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
L3MBTL1 Q9Y468 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
SCHEMBL145681 0.80 IDO1 (0.57) DAOMGLLIDO1
SCHEMBL21327021 0.79 DAO (0.48) DAOCYP11B1CYP11B2IDO1GRIN1
Ethoxycarbonyl Group SCHEMBL28050944 0.77 DAO (0.42) DAOCYP11B1CYP11B2APPALDH1A1
SCHEMBL3759840 0.77 DAO (0.43) DAOCYP11B1CYP11B2IDO1GRIN1
SCHEMBL351100 0.75 IDO1 (0.62) IDO1POLBMAPTPRKCAPRKCD
SCHEMBL14894739 0.74 DAO (0.42) DAOCYP11B1CYP11B2IDO1GRIN1
SCHEMBL28294266 0.74 KDM4E (0.36) ALDH1A1
SCHEMBL28307497 0.74 MAOA (0.30)
SCHEMBL28307498 0.74 TACR1 (0.38) POLBMAPTL3MBTL1
SCHEMBL22788261 0.73 DAO (0.40) 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.