SCHEMBL3732440

SCHEMBL3732440

O=C(/C=C/c1ccc(OC(F)F)c(OC(F)F)c1)c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCG2 Q9UNQ0 3/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CYP3A4 P08684 2/20 0.44
CXCL12 P48061 4/20 0.43
CXCR4 P61073 1/20 0.43

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 0.84 LMNA (0.50) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3736208 0.84 ALDH1A1 (0.41) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3743364 0.79 AR (0.41) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3738142 0.78 MEN1 (0.58) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3743243 0.77 CXCL12 (0.63) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3742753 0.75 MAOA (0.50) MAOAMAOBCYP1A1CYP1A2CYP2D6
SCHEMBL3740183 0.74 KMT2A (0.45) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL142116 0.74 KDM4E (0.59) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL25190968 0.74 ABCG2 (0.69) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL25193289 0.74 MEN1 (0.69) LMNAMEN1KMT2AHPGDSMN1; 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 LMNA 3364/4885MEN1 1772/4885KMT2A 364/4885

“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.