SCHEMBL3743364

SCHEMBL3743364

O=C(/C=C/c1ccc(OC(F)F)c(OC(F)F)c1)c1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CXCL12 P48061 5/20 0.40
CXCR4 P61073 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1B1 Q16678 2/20 0.39
HDAC3 O15379 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL3736208 0.86 ALDH1A1 (0.41) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL3733240 0.84 P4HB (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3740183 0.81 KMT2A (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3732440 0.79 LMNA (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL142116 0.74 KDM4E (0.59) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3736318 0.73 LMNA (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL25185073 0.71 KDM4E (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30383432 0.71 KDM4E (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3743243 0.70 CXCL12 (0.63) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL11497438 0.69 CYP1A2 (0.48) ALDH1A1MAPTCXCL12KDM4ECYP1A2

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 AR 353/4885ALDH1A1 1610/4885MAPT 2958/4885

“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.