SCHEMBL6163695

SCHEMBL6163695

COC(=O)c1cccc(-c2ncsc2CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
CDK8 P49336 1/20 0.44
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ERN1 O75460 2/20 0.41
NEK1 Q96PY6 2/20 0.41
AXL P30530 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL6166079 0.89 CDK8 (0.45) CYP4F2CYP4A11CDK8GABRG2GABRB3
SCHEMBL6167654 0.82 CA12 (0.49) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL6166179 0.79 LMNA (0.46) CYP4F2CYP4A11CDK8GABRG2GABRB3
SCHEMBL17164349 0.76 CYP4F2 (0.66) CYP4F2CYP4A11CDK8GABRG2GABRB3
SCHEMBL30506526 0.76 CYP4F2 (0.66) CYP4F2CYP4A11CDK8GABRG2GABRB3
SCHEMBL6166557 0.75 CPT2 (0.41) CDK8CPT2CPT1ANR1H4MEN1
SCHEMBL28753178 0.74 ERN1 (0.52) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL29627194 0.74 ERN1 (0.52) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL67941 0.72 CA12 (0.68) CYP4F2CYP4A11CDK8GABRG2GABRB3
SCHEMBL23782613 0.72 SMN1; SMN2 (0.50) CDK8CA12CA1CA2CA9

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 CYP4F2 405/4885CYP4A11 201/4885CDK8 2467/4885

“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.