SCHEMBL3734794

SCHEMBL3734794

CNC(=O)C(N)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KDM4E B2RXH2 1/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MTOR P42345 1/20 0.44
ROCK2 O75116 1/20 0.43
CNR2 P34972 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PARP1 P09874 1/20 0.41
ATM Q13315 1/20 0.40
EPHX1 P07099 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
SCHEMBL3730534 0.82 CES2 (0.40) HDAC4HDAC7HDAC5KDM4ECES2
SCHEMBL3732979 0.80 ROCK2 (0.48) ROCK2MEN1KMT2APARP1
SCHEMBL22807046 0.80 HDAC4 (0.50) HDAC4HDAC7HDAC5KDM4ECES2
SCHEMBL29440604 0.80 HDAC4 (0.50) HDAC4HDAC7HDAC5KDM4ECES2
SCHEMBL8227131 0.80 MEN1 (0.50) KDM4ECES2CNR2MEN1KMT2A
SCHEMBL23904583 0.79 HDAC4 (0.51) HDAC4HDAC7HDAC5KDM4ECES2
SCHEMBL3727820 0.79 HDAC3 (0.48) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL431704 0.79 HDAC4 (0.51) HDAC4HDAC7HDAC5KDM4ECES2
SCHEMBL1354525 0.79 HDAC4 (0.51) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL1354521 0.79 HDAC4 (0.51) HDAC4HDAC7HDAC5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
CN-101627007-A Aminoamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-13 CN disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 HDAC4 789/4885HDAC7 1179/4885HDAC5 435/4885

“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.