SCHEMBL3736208

SCHEMBL3736208

O=C(/C=C/c1ccc(OC(F)F)c(OC(F)F)c1)c1cnc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A1 P04798 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CYP3A4 P08684 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PDE4B Q07343 2/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL3743364 0.86 AR (0.41) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3740183 0.86 KMT2A (0.45) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3732440 0.84 LMNA (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3733240 0.80 P4HB (0.44) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL142116 0.74 KDM4E (0.59) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3736318 0.73 LMNA (0.50) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL25185073 0.71 KDM4E (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL30383432 0.71 KDM4E (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL21643543 0.70 CA1 (0.60) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL3743243 0.70 CXCL12 (0.63) KMT2AMEN1LMNASMN1; SMN2HPGD

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 ALDH1A1 1610/4885KMT2A 364/4885MAPT 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.