SCHEMBL7220987

SCHEMBL7220987

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnc3)c2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ADH5 P11766 1/20 0.34
DNMT1 P26358 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GLS O94925 1/20 0.34
BRD4 O60885 1/20 0.34
CASP6 P55212 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL6166873 0.90 L3MBTL1 (0.42) L3MBTL1POLBDNMT1APOBEC3AAPOBEC3G
SCHEMBL6433115 0.90 ABL1 (0.45) ABL1L3MBTL1F9F10PDE4A
SCHEMBL6434069 0.89 ABL1 (0.44) ABL1L3MBTL1F9F10PDE4A
SCHEMBL6166140 0.87 L3MBTL1 (0.38) L3MBTL1POLBGPR119GLS
SCHEMBL6164712 0.87 L3MBTL1 (0.38) L3MBTL1POLB
SCHEMBL6164037 0.86 ALDH1A1 (0.37) L3MBTL1POLBGPR119
SCHEMBL6164710 0.85 ABL1 (0.41) ABL1L3MBTL1F9F10PDE4A
SCHEMBL6165612 0.83 ALDH1A1 (0.38) L3MBTL1
SCHEMBL5557320 0.83 CYP17A1 (0.42) POLBHDAC1
SCHEMBL6434658 0.83 L3MBTL1 (0.45) ABL1L3MBTL1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABL1 3661/4885L3MBTL1 2727/4885F9 1977/4885

“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.