SCHEMBL6435447

SCHEMBL6435447

Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3cncn3)c2)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK10 P53779 1/20 0.35
KCNT1 Q5JUK3 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
RORC P51449 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
GPR142 Q7Z601 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6438740 0.91 RAB9A (0.38) POLBNPC1RAB9ATDP1MAPK10
SCHEMBL6164037 0.90 ALDH1A1 (0.37) POLBNPC1RAB9ATDP1MAPK10
SCHEMBL6434059 0.88 POLB (0.37) POLBGPR119RORCL3MBTL1RXFP1
SCHEMBL6167234 0.88 POLB (0.34) POLBNPC1RAB9ATDP1MAPK10
SCHEMBL6165254 0.86 L3MBTL1 (0.36) POLBNPC1RAB9ATDP1MAPK10
SCHEMBL6434623 0.86 NOTUM (0.39) POLBMAPK10RORCL3MBTL1
SCHEMBL6165294 0.86 L3MBTL1 (0.35) POLBNPC1RAB9ATDP1MAPK10
SCHEMBL6433115 0.85 ABL1 (0.45) POLBL3MBTL1
SCHEMBL5868856 0.83 CYP17A1 (0.40) NPC1RAB9ATDP1KCNT1RXFP1
SCHEMBL17336849 0.81 POLB (0.44) POLBNPC1RAB9ARXFP1ALDH1A1

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-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 POLB 3730/4885NPC1 494/4885RAB9A 999/4885

“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.