SCHEMBL6166873

SCHEMBL6166873

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3cnnc3)c2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.42
POLB P06746 2/20 0.37
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
DNMT1 P26358 1/20 0.34
CASP6 P55212 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MCL1 Q07820 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
CASP7 P55210 1/20 0.32
BRD9 Q9H8M2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7220987 0.90 ABL1 (0.43) L3MBTL1POLBAPOBEC3AAPOBEC3GDNMT1
SCHEMBL6164712 0.88 L3MBTL1 (0.38) L3MBTL1POLBRXFP1RORC
SCHEMBL6164037 0.87 ALDH1A1 (0.37) L3MBTL1POLBRXFP1RORCALDH1A1
SCHEMBL6166140 0.86 L3MBTL1 (0.38) L3MBTL1POLBRXFP1LMNAKCNQ4
SCHEMBL6162617 0.84 HSD11B1 (0.36) L3MBTL1POLBRXFP1KCNQ4KCNQ5
SCHEMBL2320766 0.84 POLB (0.41) L3MBTL1POLBRXFP1LMNAMEN1
SCHEMBL6435406 0.83 PLOD2 (0.41) ALDH1A1KMT2ATDP1HPGD
SCHEMBL6165612 0.83 ALDH1A1 (0.38) L3MBTL1LMNAALDH1A1
SCHEMBL5557099 0.82 POLB (0.38) POLBRXFP1LMNABRD9HPGD
SCHEMBL5557320 0.82 CYP17A1 (0.42) POLBRXFP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 L3MBTL1 2727/4885POLB 2015/4885APOBEC3A 4063/4885

“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.