SCHEMBL6166861

SCHEMBL6166861

COCCN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2ccnc(-c3cc(C)no3)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
BRAF P15056 2/20 0.32
HDAC3 O15379 4/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC10 Q969S8 4/20 0.31
HDAC6 Q9UBN7 4/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
ATR Q13535 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
F10 P00742 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
SCHEMBL6163393 0.90 CSF1R (0.34) CSF1RPDGFRBPDGFRAHDAC3HDAC1
SCHEMBL6166768 0.89 HDAC6 (0.39) HDAC3HDAC1HDAC10HDAC6HDAC2
SCHEMBL6611895 0.80 ALDH1A1 (0.37) CSF1RPDGFRBPDGFRA
SCHEMBL6606829 0.80 TP53 (0.41)
SCHEMBL6166114 0.79 HDAC6 (0.41) HDAC3HDAC1HDAC10HDAC6HDAC2
SCHEMBL6166976 0.78 NOTUM (0.34)
SCHEMBL6166068 0.78 HDAC6 (0.38) HDAC3HDAC1HDAC10HDAC6HDAC2
SCHEMBL6166955 0.74 HDAC6 (0.40) HDAC3HDAC1HDAC10HDAC6HDAC2
SCHEMBL6165430 0.73 MAPT (0.38) HDAC3HDAC1HDAC10HDAC6HDAC2
SCHEMBL6164966 0.73 CSF1R (0.41) CSF1RPDGFRBPDGFRAACACBACACA

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 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
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 CSF1R 3437/4885PDGFRB 1006/4885PDGFRA 1946/4885

“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.