SCHEMBL3822175

SCHEMBL3822175

O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
PTGIR P43119 2/20 0.40
EPHX2 P34913 1/20 0.39
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL3821956 0.88 MDM2 (0.41) KMT2APTGIREPHX2FABP5FABP7
SCHEMBL3822541 0.86 PTGIR (0.46) KMT2APTGIREPHX2FABP5FABP7
SCHEMBL900046 0.85 KMT2A (0.47) KMT2APTGIREPHX2FABP5FABP7
SCHEMBL3822341 0.84 EPHX2 (0.53) KMT2APTGIREPHX2FABP5FABP7
SCHEMBL3811371 0.84 PTGIR (0.46) KMT2AMEN1PTGIREPHX2FABP5
SCHEMBL3814521 0.84 EPHX2 (0.41) KMT2APTGIREPHX2FABP5FABP7
SCHEMBL5496801 0.84 PTGIR (0.46) KMT2APTGIREPHX2FABP5FABP7
SCHEMBL3812268 0.82 PTGIR (0.48) KMT2APTGIREPHX2FABP5FABP7
SCHEMBL27696329 0.82 KMT2A (0.42) KMT2AEPHX2FABP5FABP7
SCHEMBL3816301 0.80 KMT2A (0.41) KMT2AEPHX2FABP5FABP7

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-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 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-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU KMT2A 118/4885MEN1 460/4885ATM 1927/4885

“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.