SCHEMBL6166976

SCHEMBL6166976

COCCN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.34
MAPK14 Q16539 1/20 0.33
APOBEC3A P31941 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
MAPK10 P53779 2/20 0.31
P2RX7 Q99572 1/20 0.31
TP53 P04637 1/20 0.31
EPHX2 P34913 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
GSTO1 P78417 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6166386 0.91 NOTUM (0.38) NOTUMAPOBEC3ACASP7CASP6APOBEC3G
SCHEMBL6612425 0.90 NOTUM (0.37) NOTUMMAPK14APOBEC3ACASP7CASP6
SCHEMBL6163113 0.89 NOTUM (0.35) NOTUMAPOBEC3ACASP7CASP6APOBEC3G
SCHEMBL6437848 0.83 NOTUM (0.43) NOTUML3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6164277 0.82 L3MBTL1 (0.36) NOTUML3MBTL1KMT2AMEN1MAPK10
SCHEMBL6164712 0.82 L3MBTL1 (0.38) NOTUML3MBTL1MAPK10MAPK9
SCHEMBL6166534 0.81 KAT6A (0.35) MAPK14APOBEC3ACASP7CASP6APOBEC3G
SCHEMBL6164573 0.81 NOTUM (0.36) NOTUMKMT2AMAPTMEN1P2RX7
SCHEMBL6166768 0.80 HDAC6 (0.39) MAPTTP53
SCHEMBL6167017 0.80 EP300 (0.32) KMT2AMEN1

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 NOTUM 3530/4885MAPK14 4335/4885APOBEC3A 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.