SCHEMBL3738142

SCHEMBL3738142

COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2)ccc1OC(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ABCG2 Q9UNQ0 3/20 0.55
CYP1A1 P04798 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP1B1 Q16678 2/20 0.52
CYP3A4 P08684 1/20 0.52
TNFRSF1A P19438 1/20 0.51
CXCL12 P48061 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49

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
SCHEMBL3736318 0.94 LMNA (0.50) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL8172927 0.92 ABCG2 (0.55) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL3738143 0.92 ABCG2 (0.55) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL3748001 0.92 ABCG2 (0.66) MEN1KMT2ALMNANPSR1ABCG2
SCHEMBL3733434 0.85 CXCL12 (0.55) MEN1KMT2ALMNAHPGDABCG2
SCHEMBL3735028 0.85 CXCL12 (0.55) MEN1KMT2ALMNASMN1; SMN2ABCG2
SCHEMBL3748003 0.83 ABCG2 (0.66) MEN1KMT2ALMNANPSR1ABCG2
SCHEMBL3729435 0.81 MAOB (0.47) LMNASMN1; SMN2NPSR1CYP1A1CYP1A2
SCHEMBL25193289 0.80 MEN1 (0.69) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL25197827 0.80 MEN1 (0.69) MEN1KMT2ALMNAHPGDSMN1; SMN2

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
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
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 MEN1 1772/4885KMT2A 364/4885LMNA 3364/4885

“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.